ethyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H26N2O3S/c1-3-30-25(29)22-21(19-10-5-4-6-11-19)16-31-24(22)26-23(28)17(2)27-14-13-18-9-7-8-12-20(18)15-27/h4-12,16-17H,3,13-15H2,1-2H3,(H,26,28)