2-[(2-acetyloxyphenyl)carbonylamino]-2-(sulfanylmethyl)butanedioic acid

Systemtic Name: 2-[(2-acetyloxyphenyl)carbonylamino]-2-(sulfanylmethyl)butanedioic acid Openeye Name: 2-[(2-acetoxybenzoyl)amino]-2-(sulfanylmethyl)butanedioic acid CAS Name: 2-[[(2-acetyloxyphenyl)-oxomethyl]amino]-2-(mercaptomethyl)butanedioic acid IUPAC Name: 2-[(2-acetyloxybenzoyl)amino]-2-(sulfanylmethyl)butanedioic acid Traditional Name: 2-[(2-acetoxybenzoyl)amino]-2-(mercaptomethyl)succinic acid Formula: C14H15NO7S MolecularWeight: 341.3364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NC(CC(=O)O)(CS)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NC(CC(=O)O)(CS)C(=O)O

InChI

InChI=1S/C14H15NO7S/c1-8(16)22-10-5-3-2-4-9(10)12(19)15-14(7-23,13(20)21)6-11(17)18/h2-5,23H,6-7H2,1H3,(H,15,19)(H,17,18)(H,20,21)