methyl 2-acetamido-3-[(6-chloranyl-3-oxidanylidene-1,2-dihydroinden-2-yl)sulfanyl]propanoate

Systemtic Name: methyl 2-acetamido-3-[(6-chloranyl-3-oxidanylidene-1,2-dihydroinden-2-yl)sulfanyl]propanoate Openeye Name: methyl 2-acetamido-3-(5-chloro-1-oxo-indan-2-yl)sulfanyl-propanoate CAS Name: 2-acetamido-3-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)sulfanyl]propanoate Traditional Name: 2-acetamido-3-[(5-chloro-1-keto-indan-2-yl)thio]propionic acid methyl ester Formula: C15H16ClNO4S MolecularWeight: 341.80984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CC2=C(C1=O)C=CC(=C2)Cl)C(=O)OC

Isomeric SMILES

CC(=O)NC(CSC1CC2=C(C1=O)C=CC(=C2)Cl)C(=O)OC

InChI

InChI=1S/C15H16ClNO4S/c1-8(18)17-12(15(20)21-2)7-22-13-6-9-5-10(16)3-4-11(9)14(13)19/h3-5,12-13H,6-7H2,1-2H3,(H,17,18)