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

Systemtic Name: methyl 2-[[cyclopropyl-(3-nitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[cyclopropyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclopropyl-[(3-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclopropyl-(3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclopropyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S/c1-24-16(21)13-9-25-14(17-13)8-18(11-5-6-11)15(20)10-3-2-4-12(7-10)19(22)23/h2-4,7,9,11H,5-6,8H2,1H3