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

Systemtic Name: [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4-azanylbenzoate Openeye Name: 1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 4-aminobenzoate CAS Name: 4-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] 4-aminobenzoate Traditional Name: 4-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=C(C=C4)N

Isomeric SMILES

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