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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c1-11(25-19(24)12-6-8-13(21)9-7-12)17(23)22-18-15(10-20)14-4-2-3-5-16(14)26-18/h6-9,11H,2-5,21H2,1H3,(H,22,23)