2-methyl-3-(3-methylthiophen-2-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: 2-methyl-3-(3-methylthiophen-2-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: 2-methyl-3-(3-methyl-2-thienyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: 2-methyl-3-(3-methyl-2-thiophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: 2-methyl-3-(3-methylthiophen-2-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: 1-keto-2-methyl-3-(3-methyl-2-thienyl)-3,4-dihydroisoquinoline-4-carboxylate Formula: C16H14NO3S- MolecularWeight: 300.35226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)[O-]

InChI

InChI=1S/C16H15NO3S/c1-9-7-8-21-14(9)13-12(16(19)20)10-5-3-4-6-11(10)15(18)17(13)2/h3-8,12-13H,1-2H3,(H,19,20)/p-1