ethyl 2-[[1-(3-carboxyoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-oxidanylidene-propan-2-yl]amino]-4-phenylsulfanyl-butanoate

Systemtic Name: ethyl 2-[[1-(3-carboxyoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-oxidanylidene-propan-2-yl]amino]-4-phenylsulfanyl-butanoate Openeye Name: ethyl 2-[[2-(3-carboxyoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-methyl-2-oxo-ethyl]amino]-4-phenylsulfanyl-butanoate CAS Name: 2-[[1-(3-carboxyoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-oxopropan-2-yl]amino]-4-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-(3-carboxyoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-oxopropan-2-yl]amino]-4-phenylsulfanylbutanoate Traditional Name: 2-[[2-(3-carboxyoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2-keto-1-methyl-ethyl]amino]-4-(phenylthio)butyric acid ethyl ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC1=CC=CC=C1)NC(C)C(=O)C2C3=CC=CC=C3CC(N2)OC(=O)O

Isomeric SMILES

CCOC(=O)C(CCSC1=CC=CC=C1)NC(C)C(=O)C2C3=CC=CC=C3CC(N2)OC(=O)O

InChI

InChI=1S/C25H30N2O6S/c1-3-32-24(29)20(13-14-34-18-10-5-4-6-11-18)26-16(2)23(28)22-19-12-8-7-9-17(19)15-21(27-22)33-25(30)31/h4-12,16,20-22,26-27H,3,13-15H2,1-2H3,(H,30,31)