methyl 2-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C=C(C#N)C(=O)NC3=C(C=C(S3)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)/C=C(\C#N)/C(=O)NC3=C(C=C(S3)C(C)C)C(=O)OC

InChI

InChI=1S/C22H21N3O3S/c1-12(2)19-10-17(22(27)28-4)21(29-19)25-20(26)14(11-23)9-16-13(3)24-18-8-6-5-7-15(16)18/h5-10,12,24H,1-4H3,(H,25,26)/b14-9+