2-[2-[(6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-[(6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]ethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-[(6-keto-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]propionic acid Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O)OC2=O

Isomeric SMILES

C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O)OC2=O

InChI

InChI=1S/C25H25NO6S/c27-23(26-21(24(28)29)15-33-14-16-6-2-1-3-7-16)13-31-17-10-11-19-18-8-4-5-9-20(18)25(30)32-22(19)12-17/h1-3,6-7,10-12,21H,4-5,8-9,13-15H2,(H,26,27)(H,28,29)