methyl 2-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(3-phenoxyphenyl)prop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-phenoxyphenyl)acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C#N)C(=O)OC

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=CC=C2)OC3=CC=CC=C3)/C#N)C(=O)OC

InChI

InChI=1S/C25H22N2O4S/c1-16(2)22-14-21(25(29)30-3)24(32-22)27-23(28)18(15-26)12-17-8-7-11-20(13-17)31-19-9-5-4-6-10-19/h4-14,16H,1-3H3,(H,27,28)/b18-12+