[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-[(2-methoxy-1-methyl-ethyl)amino]-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-keto-2-[(2-methoxy-1-methyl-ethyl)amino]ethyl] ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)COC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

Isomeric SMILES

CC(COC)NC(=O)COC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

InChI

InChI=1S/C17H20N2O4S2/c1-12(7-22-2)19-16(20)8-23-17(21)13-3-5-15(6-4-13)25-10-14-9-24-11-18-14/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,19,20)