2-methyl-3-oxidanylidene-2-phenyl-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonylamino)butanoic acid

Systemtic Name: 2-methyl-3-oxidanylidene-2-phenyl-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonylamino)butanoic acid Openeye Name: 2-methyl-3-oxo-2-phenyl-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butanoic acid CAS Name: 2-methyl-3-oxo-4-[[oxo(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methyl]amino]-2-phenylbutanoic acid IUPAC Name: 2-methyl-3-oxo-2-phenyl-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butanoic acid Traditional Name: 3-keto-2-methyl-2-phenyl-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butyric acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)CNC(=O)C2=CC3=C(S2)CCNC3)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C(=O)CNC(=O)C2=CC3=C(S2)CCNC3)C(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-19(18(24)25,13-5-3-2-4-6-13)16(22)11-21-17(23)15-9-12-10-20-8-7-14(12)26-15/h2-6,9,20H,7-8,10-11H2,1H3,(H,21,23)(H,24,25)