(3S)-6-(4-thiophen-2-ylbutanoylamino)-3,4-dihydro-1H-isochromene-3-carboxylic acid

Systemtic Name: (3S)-6-(4-thiophen-2-ylbutanoylamino)-3,4-dihydro-1H-isochromene-3-carboxylic acid Openeye Name: (3S)-6-[4-(2-thienyl)butanoylamino]isochromane-3-carboxylic acid CAS Name: (3S)-6-[(1-oxo-4-thiophen-2-ylbutyl)amino]-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: (3S)-6-(4-thiophen-2-ylbutanoylamino)-3,4-dihydro-1H-isochromene-3-carboxylic acid Traditional Name: (3S)-6-[4-(2-thienyl)butanoylamino]isochroman-3-carboxylic acid Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=C1C=C(C=C2)NC(=O)CCCC3=CC=CS3)C(=O)O

Isomeric SMILES

C1[C@H](OCC2=C1C=C(C=C2)NC(=O)CCCC3=CC=CS3)C(=O)O

InChI

InChI=1S/C18H19NO4S/c20-17(5-1-3-15-4-2-8-24-15)19-14-7-6-12-11-23-16(18(21)22)10-13(12)9-14/h2,4,6-9,16H,1,3,5,10-11H2,(H,19,20)(H,21,22)/t16-/m0/s1