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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4

InChI

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