propan-2-yl 2-[[(E)-3-anthracen-9-yl-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-anthracen-9-yl-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(9-anthryl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(9-anthracenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-anthracen-9-yl-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(9-anthryl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC=C1)NC(=O)C(=CC2=C3C=CC=CC3=CC4=CC=CC=C42)C#N

Isomeric SMILES

CC(C)OC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=C3C=CC=CC3=CC4=CC=CC=C42)/C#N

InChI

InChI=1S/C26H20N2O3S/c1-16(2)31-26(30)22-11-12-32-25(22)28-24(29)19(15-27)14-23-20-9-5-3-7-17(20)13-18-8-4-6-10-21(18)23/h3-14,16H,1-2H3,(H,28,29)/b19-14+