2-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[(1-carbethoxy-4-piperidyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H22N2O5S/c1-2-24-17(23)19-9-7-12(8-10-19)18-15(20)11-25-14-6-4-3-5-13(14)16(21)22/h3-6,12H,2,7-11H2,1H3,(H,18,20)(H,21,22)