ethyl 2-[[(Z)-C-phenyl-N-thiophen-2-ylsulfonyl-carbonimidoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(Z)-C-phenyl-N-thiophen-2-ylsulfonyl-carbonimidoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(Z)-C-phenyl-N-(2-thienylsulfonyl)carbonimidoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(Z)-phenyl(thiophen-2-ylsulfonylimino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(Z)-C-phenyl-N-thiophen-2-ylsulfonylcarbonimidoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(Z)-C-phenyl-N-(2-thienylsulfonyl)carbonimidoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O4S3 MolecularWeight: 474.61608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=NS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N/C(=N\S(=O)(=O)C3=CC=CS3)/C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4S3/c1-2-28-22(25)19-16-11-6-7-12-17(16)30-21(19)23-20(15-9-4-3-5-10-15)24-31(26,27)18-13-8-14-29-18/h3-5,8-10,13-14H,2,6-7,11-12H2,1H3,(H,23,24)