6-ethanoyl-2-[(2-methylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

Systemtic Name: 6-ethanoyl-2-[(2-methylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Openeye Name: 6-acetyl-2-[(2-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid CAS Name: 6-acetyl-2-[[(2-methylphenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid IUPAC Name: 6-acetyl-2-[(2-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Traditional Name: 6-acetyl-2-(o-toluoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)C)C(=O)O

InChI

InChI=1S/C18H18N2O4S/c1-10-5-3-4-6-12(10)16(22)19-17-15(18(23)24)13-7-8-20(11(2)21)9-14(13)25-17/h3-6H,7-9H2,1-2H3,(H,19,22)(H,23,24)