methyl 2-[[cyclopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[cyclopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[cyclopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclopropyl-[(4-nitroanilino)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5S/c1-25-15(21)13-9-26-14(18-13)8-19(11-6-7-11)16(22)17-10-2-4-12(5-3-10)20(23)24/h2-5,9,11H,6-8H2,1H3,(H,17,22)