propan-2-yl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-nitrophenyl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S/c1-11(2)26-18(23)15-7-8-27-17(15)20-16(22)13(10-19)9-12-3-5-14(6-4-12)21(24)25/h3-9,11H,1-2H3,(H,20,22)/b13-9+