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

Systemtic Name: methyl 2-[2-[2-[(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[2-[(6-ethoxy-3-prop-2-ynyl-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-[(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[2-[(6-ethoxy-3-prop-2-ynyl-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-[(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]thio]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H29N3O5S3 MolecularWeight: 571.73126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5S3/c1-5-11-30-19-10-8-17(35-6-2)13-21(19)38-27(30)29-23(32)15-36-14-22(31)28-25-24(26(33)34-4)18-9-7-16(3)12-20(18)37-25/h1,8,10,13,16H,6-7,9,11-12,14-15H2,2-4H3,(H,28,31)