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

Systemtic Name: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-azanylbenzoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=CC(=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C19H19N3O3S/c1-11(25-19(24)12-5-4-6-13(21)9-12)17(23)22-18-15(10-20)14-7-2-3-8-16(14)26-18/h4-6,9,11H,2-3,7-8,21H2,1H3,(H,22,23)