(3S)-7-(5-thiophen-2-ylpentanoylamino)-3,4-dihydro-1H-isochromene-3-carboxylic acid

Systemtic Name: (3S)-7-(5-thiophen-2-ylpentanoylamino)-3,4-dihydro-1H-isochromene-3-carboxylic acid Openeye Name: (3S)-7-[5-(2-thienyl)pentanoylamino]isochromane-3-carboxylic acid CAS Name: (3S)-7-[(1-oxo-5-thiophen-2-ylpentyl)amino]-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: (3S)-7-(5-thiophen-2-ylpentanoylamino)-3,4-dihydro-1H-isochromene-3-carboxylic acid Traditional Name: (3S)-7-[5-(2-thienyl)pentanoylamino]isochroman-3-carboxylic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=C1C=CC(=C2)NC(=O)CCCCC3=CC=CS3)C(=O)O

Isomeric SMILES

C1[C@H](OCC2=C1C=CC(=C2)NC(=O)CCCCC3=CC=CS3)C(=O)O

InChI

InChI=1S/C19H21NO4S/c21-18(6-2-1-4-16-5-3-9-25-16)20-15-8-7-13-11-17(19(22)23)24-12-14(13)10-15/h3,5,7-10,17H,1-2,4,6,11-12H2,(H,20,21)(H,22,23)/t17-/m0/s1