ethyl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C24H30ClNO4S MolecularWeight: 464.0173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C24H30ClNO4S/c1-3-29-24(28)22-18-9-6-4-5-7-10-20(18)31-23(22)26-21(27)11-8-14-30-19-13-12-17(25)15-16(19)2/h12-13,15H,3-11,14H2,1-2H3,(H,26,27)