[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-3-methyl-benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H17N3O4S/c1-10-5-4-6-14(15(10)20-12(3)22)18(24)25-11(2)16(23)21-17-13(9-19)7-8-26-17/h4-8,11H,1-3H3,(H,20,22)(H,21,23)