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

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamidobenzoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-benzamidobenzoate CAS Name: 2-benzamidobenzoic 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-benzamidobenzoate Traditional Name: 2-benzamidobenzoic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H21N3O4S/c26-14-19-17-10-5-7-13-21(17)33-24(19)28-22(29)15-32-25(31)18-11-4-6-12-20(18)27-23(30)16-8-2-1-3-9-16/h1-4,6,8-9,11-12H,5,7,10,13,15H2,(H,27,30)(H,28,29)