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

Systemtic Name: ethyl 2-[2-(2-methylphenyl)sulfanylethanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(o-tolylsulfanyl)acetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(o-tolylthio)acetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)CSC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)CSC3=CC=CC=C3C

InChI

InChI=1S/C22H27NO3S2/c1-3-26-22(25)20-16-11-6-4-5-7-13-18(16)28-21(20)23-19(24)14-27-17-12-9-8-10-15(17)2/h8-10,12H,3-7,11,13-14H2,1-2H3,(H,23,24)