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

Systemtic Name: methyl 2-[[cyclopropyl-[3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[cyclopropyl-[3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclopropyl-[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclopropyl-[3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclopropyl-[3-(4-nitrophenyl)acryloyl]amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-26-18(23)15-11-27-16(19-15)10-20(13-7-8-13)17(22)9-4-12-2-5-14(6-3-12)21(24)25/h2-6,9,11,13H,7-8,10H2,1H3