3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-thiophen-2-yl-isoquinoline-6-carboxylic acid

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-thiophen-2-yl-isoquinoline-6-carboxylic acid Openeye Name: 3-(aminomethyl)-2-isobutyl-1-oxo-4-(2-thienyl)isoquinoline-6-carboxylic acid CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-thiophen-2-yl-6-isoquinolinecarboxylic acid IUPAC Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-thiophen-2-ylisoquinoline-6-carboxylic acid Traditional Name: 3-(aminomethyl)-2-isobutyl-1-keto-4-(2-thienyl)isoquinoline-6-carboxylic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)O)C3=CC=CS3)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)O)C3=CC=CS3)CN

InChI

InChI=1S/C19H20N2O3S/c1-11(2)10-21-15(9-20)17(16-4-3-7-25-16)14-8-12(19(23)24)5-6-13(14)18(21)22/h3-8,11H,9-10,20H2,1-2H3,(H,23,24)