2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-[(2-hydroxyphenyl)methylamino]-3-sulfanyl-propanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-[(2-hydroxyphenyl)methylamino]-3-sulfanyl-propanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-[(2-hydroxyphenyl)methylamino]-3-sulfanyl-propanoate CAS Name: 2-[(2-hydroxyphenyl)methylamino]-3-mercaptopropanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-[(2-hydroxyphenyl)methylamino]-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-(salicylamino)propionic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C(CS)NCC2=CC=CC=C2O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C(CS)NCC2=CC=CC=C2O)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5S/c1-11-17-9-15(20(23)24)19(11)6-7-25-16(22)13(10-26)18-8-12-4-2-3-5-14(12)21/h2-5,9,13,18,21,26H,6-8,10H2,1H3