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

Systemtic Name: ethyl 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-chlorophenyl)-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-(3-chlorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-chlorophenyl)acryloyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H24ClNO3S MolecularWeight: 417.94886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO3S/c1-2-27-22(26)20-17-10-5-3-4-6-11-18(17)28-21(20)24-19(25)13-12-15-8-7-9-16(23)14-15/h7-9,12-14H,2-6,10-11H2,1H3,(H,24,25)/b13-12+