[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-phenylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-phenylphenyl)carbonylamino]ethanoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-[(4-phenylbenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-phenylphenyl)methyl]amino]acetic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate Traditional Name: 2-[(4-phenylbenzoyl)amino]acetic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H23N3O4S/c27-14-21-20-8-4-5-9-22(20)34-26(21)29-23(30)16-33-24(31)15-28-25(32)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,15-16H2,(H,28,32)(H,29,30)