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

Systemtic Name: [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 3-azanylbenzoate Openeye Name: 1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 3-aminobenzoate CAS Name: 3-aminobenzoic acid [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid 1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3S/c1-2-22(32-26(31)18-9-6-10-19(28)13-18)24(30)29-25-21(15-27)20-12-11-17(14-23(20)33-25)16-7-4-3-5-8-16/h3-10,13,17,22H,2,11-12,14,28H2,1H3,(H,29,30)