[1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-azanylbenzoate

Systemtic Name: [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-azanylbenzoate Openeye Name: [2-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)OC(=O)C4=CC=C(C=C4)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)OC(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C25H23N3O3S/c1-15(31-25(30)17-7-10-19(27)11-8-17)23(29)28-24-21(14-26)20-12-9-18(13-22(20)32-24)16-5-3-2-4-6-16/h2-8,10-11,15,18H,9,12-13,27H2,1H3,(H,28,29)