ethyl 2-[2-[2-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfonylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[2-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[2-keto-2-[(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C27H29N3O7S3 MolecularWeight: 603.73006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CS(=O)(=O)CC(=O)N=C3N(C4=C(S3)C=C(C=C4)OC)CC#C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CS(=O)(=O)CC(=O)N=C3N(C4=C(S3)C=C(C=C4)OC)CC#C

InChI

InChI=1S/C27H29N3O7S3/c1-4-13-30-19-12-11-17(36-3)14-21(19)39-27(30)29-23(32)16-40(34,35)15-22(31)28-25-24(26(33)37-5-2)18-9-7-6-8-10-20(18)38-25/h1,11-12,14H,5-10,13,15-16H2,2-3H3,(H,28,31)