propan-2-yl 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)OC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H22N4O3S/c1-18(2)34-27(33)23-13-14-35-26(23)29-25(32)20(16-28)15-21-17-31(22-11-7-4-8-12-22)30-24(21)19-9-5-3-6-10-19/h3-15,17-18H,1-2H3,(H,29,32)/b20-15+