ethyl 2-methylsulfanyl-5-[(2-nitrophenyl)carbonylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-5-[(2-nitrophenyl)carbonylamino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-methylsulfanyl-5-[(2-nitrobenzoyl)amino]thiazole-4-carboxylate CAS Name: 2-(methylthio)-5-[[(2-nitrophenyl)-oxomethyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-5-[(2-nitrobenzoyl)amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-(methylthio)-5-[(2-nitrobenzoyl)amino]thiazole-4-carboxylic acid ethyl ester Formula: C14H13N3O5S2 MolecularWeight: 367.40012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)SC)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)SC)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S2/c1-3-22-13(19)10-12(24-14(15-10)23-2)16-11(18)8-6-4-5-7-9(8)17(20)21/h4-7H,3H2,1-2H3,(H,16,18)