(2-oxidanylidenechromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (2-oxochromen-7-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (2-ketochromen-7-yl) ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC2=C(C=C1)C=CC(=O)O2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OC1=CC2=C(C=C1)C=CC(=O)O2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO6S/c1-30-12-11-18(23-22(26)27-14-15-5-3-2-4-6-15)21(25)28-17-9-7-16-8-10-20(24)29-19(16)13-17/h2-10,13,18H,11-12,14H2,1H3,(H,23,26)