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

Systemtic Name: ethyl 2-[2-[2-[(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-[(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfonylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[2-[(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-[(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[2-keto-2-[(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H27N3O6S3 MolecularWeight: 573.70408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CS(=O)(=O)CC(=O)N=C3N(C4=C(S3)C=C(C=C4)C)CC#C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CS(=O)(=O)CC(=O)N=C3N(C4=C(S3)C=C(C=C4)C)CC#C

InChI

InChI=1S/C26H27N3O6S3/c1-4-12-29-18-11-10-16(3)13-20(18)37-26(29)28-22(31)15-38(33,34)14-21(30)27-24-23(25(32)35-5-2)17-8-6-7-9-19(17)36-24/h1,10-11,13H,5-9,12,14-15H2,2-3H3,(H,27,30)