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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-thiophen-2-yl-prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(2-thienyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2-thienyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=CS3)C#N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=CS3)/C#N

InChI

InChI=1S/C18H16N2O3S2/c1-23-18(22)15-13-6-2-3-7-14(13)25-17(15)20-16(21)11(10-19)9-12-5-4-8-24-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,20,21)/b11-9+