ethyl 4-methyl-2-[(3-nitrophenyl)carbonyl-prop-2-enyl-amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(3-nitrophenyl)carbonyl-prop-2-enyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[allyl-(3-nitrobenzoyl)amino]-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[(3-nitrophenyl)-oxomethyl]-prop-2-enylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(3-nitrobenzoyl)-prop-2-enylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[allyl-(3-nitrobenzoyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N(CC=C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N(CC=C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O5S/c1-4-9-19(15(21)12-7-6-8-13(10-12)20(23)24)17-18-11(3)14(26-17)16(22)25-5-2/h4,6-8,10H,1,5,9H2,2-3H3