2-(2-methyl-3-oxidanylidene-butanethioyl)-1,3,4,5-tetrahydro-2-benzazepine-3-carboxylic acid

Systemtic Name: 2-(2-methyl-3-oxidanylidene-butanethioyl)-1,3,4,5-tetrahydro-2-benzazepine-3-carboxylic acid Openeye Name: 2-(2-methyl-3-oxo-butanethioyl)-1,3,4,5-tetrahydro-2-benzazepine-3-carboxylic acid CAS Name: 2-(2-methyl-3-oxo-1-sulfanylidenebutyl)-1,3,4,5-tetrahydro-2-benzazepine-3-carboxylic acid IUPAC Name: 2-(2-methyl-3-oxobutanethioyl)-1,3,4,5-tetrahydro-2-benzazepine-3-carboxylic acid Traditional Name: 2-(3-keto-2-methyl-butanethioyl)-1,3,4,5-tetrahydro-2-benzazepine-3-carboxylic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)C(=S)N1CC2=CC=CC=C2CCC1C(=O)O

Isomeric SMILES

CC(C(=O)C)C(=S)N1CC2=CC=CC=C2CCC1C(=O)O

InChI

InChI=1S/C16H19NO3S/c1-10(11(2)18)15(21)17-9-13-6-4-3-5-12(13)7-8-14(17)16(19)20/h3-6,10,14H,7-9H2,1-2H3,(H,19,20)