2-[2-[(6-methyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]ethanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[2-[(6-methyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-[(4-keto-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]-3-(methylthio)propionic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)NC(CSC)C(=O)O

InChI

InChI=1S/C19H21NO6S/c1-10-15(25-8-16(21)20-14(9-27-2)18(22)23)7-6-12-11-4-3-5-13(11)19(24)26-17(10)12/h6-7,14H,3-5,8-9H2,1-2H3,(H,20,21)(H,22,23)