4-[2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[(4-methoxy-4-oxo-butyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-[(4-keto-4-methoxy-butyl)amino]ethyl]thio]benzoic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H17NO5S/c1-20-13(17)3-2-8-15-12(16)9-21-11-6-4-10(5-7-11)14(18)19/h4-7H,2-3,8-9H2,1H3,(H,15,16)(H,18,19)