propan-2-yl 2-[[2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-cyano-3-(5-methyl-2-furyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(5-methyl-2-furyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(O1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C

InChI

InChI=1S/C21H22N2O4S/c1-12(2)26-21(25)18-16-6-4-5-7-17(16)28-20(18)23-19(24)14(11-22)10-15-9-8-13(3)27-15/h8-10,12H,4-7H2,1-3H3,(H,23,24)