2-[2-[(3-methylsulfanylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(3-methylsulfanylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(3-methylsulfanylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[[3-(methylthio)anilino]-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(3-methylsulfanylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[[3-(methylthio)phenyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCC3=CC=CC=C3C2CC(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCC3=CC=CC=C3C2CC(=O)O

InChI

InChI=1S/C19H20N2O3S/c1-25-15-7-4-6-14(11-15)20-19(24)21-10-9-13-5-2-3-8-16(13)17(21)12-18(22)23/h2-8,11,17H,9-10,12H2,1H3,(H,20,24)(H,22,23)