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

Systemtic Name: ethyl 2-[2-[2-[[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-[[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]amino]-2-oxo-ethyl]sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[2-[[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-[[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[2-[[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]amino]-2-keto-ethyl]thio]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H35N3O5S3 MolecularWeight: 589.7896

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)OCC

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)OCC

InChI

InChI=1S/C28H35N3O5S3/c1-5-35-12-11-31-20-10-8-18(4)14-22(20)39-28(31)30-24(33)16-37-15-23(32)29-26-25(27(34)36-6-2)19-9-7-17(3)13-21(19)38-26/h8,10,14,17H,5-7,9,11-13,15-16H2,1-4H3,(H,29,32)