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

Systemtic Name: [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-azanylbenzoate Openeye Name: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyano-6-methyl-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-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)OC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)OC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C20H21N3O3S/c1-11-3-8-15-16(10-21)19(27-17(15)9-11)23-18(24)12(2)26-20(25)13-4-6-14(22)7-5-13/h4-7,11-12H,3,8-9,22H2,1-2H3,(H,23,24)