methyl 3-cyano-2-[(3-methylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: methyl 3-cyano-2-[(3-methylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: methyl 3-cyano-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[(3-methylphenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-cyano-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(m-toluoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC)C#N

InChI

InChI=1S/C18H17N3O3S/c1-11-4-3-5-12(8-11)16(22)20-17-14(9-19)13-6-7-21(18(23)24-2)10-15(13)25-17/h3-5,8H,6-7,10H2,1-2H3,(H,20,22)