methyl 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-chlorophenyl)acryloyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H20ClNO3S MolecularWeight: 389.8957

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClNO3S/c1-25-20(24)18-14-8-3-2-4-10-16(14)26-19(18)22-17(23)12-11-13-7-5-6-9-15(13)21/h5-7,9,11-12H,2-4,8,10H2,1H3,(H,22,23)/b12-11+