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

Systemtic Name: methyl 2-[[(Z)-2-cyano-3-phenyl-prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(Z)-2-cyano-3-phenyl-prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(Z)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(Z)-2-cyano-3-phenyl-acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)/C(=C\C3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H20N2O3S/c1-13-8-9-16-17(10-13)27-20(18(16)21(25)26-2)23-19(24)15(12-22)11-14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3,(H,23,24)/b15-11-