ethyl 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(p-tolyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(p-tolyl)acryloyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C=CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)/C=C/C3=CC=C(C=C3)C

InChI

InChI=1S/C23H27NO3S/c1-3-27-23(26)21-18-8-6-4-5-7-9-19(18)28-22(21)24-20(25)15-14-17-12-10-16(2)11-13-17/h10-15H,3-9H2,1-2H3,(H,24,25)/b15-14+