ethyl 4-cyclopropyl-2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[1-oxo-4-(phenylthio)butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[4-(phenylthio)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S2/c1-2-24-20(23)18-16(14-10-11-14)13-26-19(18)21-17(22)9-6-12-25-15-7-4-3-5-8-15/h3-5,7-8,13-14H,2,6,9-12H2,1H3,(H,21,22)