ethyl 3-(2-phenylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(2-phenylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(phenylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C19H21NO3S2 MolecularWeight: 375.50494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H21NO3S2/c1-2-23-19(22)18-17(14-10-6-7-11-15(14)25-18)20-16(21)12-24-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,20,21)