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

Systemtic Name: ethyl 3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,2-thiazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]isothiazole-4-carboxylate CAS Name: 3-methyl-5-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-[[(E)-3-(3-nitrophenyl)acryloyl]amino]isothiazole-4-carboxylic acid ethyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1C)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SN=C1C)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-3-24-16(21)14-10(2)18-25-15(14)17-13(20)8-7-11-5-4-6-12(9-11)19(22)23/h4-9H,3H2,1-2H3,(H,17,20)/b8-7+