(3-methyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (3-methyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl) ester IUPAC Name: (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (6-keto-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) ester Formula: C27H29NO6S MolecularWeight: 495.58726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO6S/c1-17-14-22-24(19-10-6-7-11-20(19)25(29)33-22)23(15-17)34-26(30)21(12-13-35-2)28-27(31)32-16-18-8-4-3-5-9-18/h3-5,8-9,14-15,21H,6-7,10-13,16H2,1-2H3,(H,28,31)