ethyl 2-(4-phenylsulfanylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(4-phenylsulfanylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(4-phenylsulfanylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-phenylsulfanylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[4-(phenylthio)butanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[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=C1CCCCC2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3S2/c1-2-26-22(25)20-17-12-7-4-8-13-18(17)28-21(20)23-19(24)14-9-15-27-16-10-5-3-6-11-16/h3,5-6,10-11H,2,4,7-9,12-15H2,1H3,(H,23,24)