ethyl 2-[(3,4-dimethoxyphenyl)carbonyl-oxidanyl-amino]-3-(1H-imidazol-2-ylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(3,4-dimethoxyphenyl)carbonyl-oxidanyl-amino]-3-(1H-imidazol-2-ylsulfanyl)propanoate Openeye Name: ethyl 2-[(3,4-dimethoxybenzoyl)-hydroxy-amino]-3-(1H-imidazol-2-ylsulfanyl)propanoate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]-hydroxyamino]-3-(1H-imidazol-2-ylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dimethoxybenzoyl)-hydroxyamino]-3-(1H-imidazol-2-ylsulfanyl)propanoate Traditional Name: 2-[hydroxy(veratroyl)amino]-3-(1H-imidazol-2-ylthio)propionic acid ethyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=NC=CN1)N(C(=O)C2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CCOC(=O)C(CSC1=NC=CN1)N(C(=O)C2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C17H21N3O6S/c1-4-26-16(22)12(10-27-17-18-7-8-19-17)20(23)15(21)11-5-6-13(24-2)14(9-11)25-3/h5-9,12,23H,4,10H2,1-3H3,(H,18,19)