2-[2-(2,5-dimethyl-7-oxidanylidene-3-phenyl-furo[3,2-g]chromen-6-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-(2,5-dimethyl-7-oxidanylidene-3-phenyl-furo[3,2-g]chromen-6-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(2,5-dimethyl-7-oxo-3-phenyl-furo[3,2-g]chromen-6-yl)acetyl]amino]propanoic acid CAS Name: 2-[[2-(2,5-dimethyl-7-oxo-3-phenyl-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(7-keto-2,5-dimethyl-3-phenyl-furo[3,2-g]chromen-6-yl)acetyl]amino]propionic acid Formula: C31H27NO6S MolecularWeight: 541.61418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)CC(=O)NC(CSCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)CC(=O)NC(CSCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H27NO6S/c1-18-22-13-24-27(37-19(2)29(24)21-11-7-4-8-12-21)15-26(22)38-31(36)23(18)14-28(33)32-25(30(34)35)17-39-16-20-9-5-3-6-10-20/h3-13,15,25H,14,16-17H2,1-2H3,(H,32,33)(H,34,35)