ethyl 2-[2-[2-[[6-ethoxy-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-[[6-ethoxy-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-[[6-ethoxy-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxo-ethyl]sulfonylacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[2-[[6-ethoxy-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-[[6-ethoxy-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[2-[[6-ethoxy-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazol-2-ylidene]amino]-2-keto-ethyl]sulfonylacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H33N3O9S3 MolecularWeight: 651.77132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)OCC)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)OCC)S2)CC(=O)OC

InChI

InChI=1S/C28H33N3O9S3/c1-5-39-17-8-10-19-21(12-17)42-28(31(19)13-24(34)38-4)30-23(33)15-43(36,37)14-22(32)29-26-25(27(35)40-6-2)18-9-7-16(3)11-20(18)41-26/h8,10,12,16H,5-7,9,11,13-15H2,1-4H3,(H,29,32)