ethyl 5-aminocarbonyl-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S/c1-3-27-18(24)14-10(2)15(16(19)23)28-17(14)20-13(22)8-7-11-5-4-6-12(9-11)21(25)26/h4-9H,3H2,1-2H3,(H2,19,23)(H,20,22)/b8-7+