(2R)-2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[(5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-mercapto-propionic acid Formula: C14H14ClNO6S MolecularWeight: 359.78206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CS)C(=O)O)Cl

Isomeric SMILES

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CS)C(=O)O)Cl

InChI

InChI=1S/C14H14ClNO6S/c1-5-2-6-8(15)3-7(11(17)10(6)14(21)22-5)12(18)16-9(4-23)13(19)20/h3,5,9,17,23H,2,4H2,1H3,(H,16,18)(H,19,20)/t5?,9-/m0/s1