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

Systemtic Name: propan-2-yl 2-[[(E)-2-cyano-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-2-cyano-3-(2-isopropoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(2-propan-2-yloxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-2-cyano-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC(C)C

InChI

InChI=1S/C21H22N2O4S/c1-13(2)26-18-8-6-5-7-15(18)11-16(12-22)19(24)23-20-17(9-10-28-20)21(25)27-14(3)4/h5-11,13-14H,1-4H3,(H,23,24)/b16-11+