[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-phenyl-2-(2-thenoylamino)propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H24N2O4S/c28-23(27-13-12-19-9-4-5-10-20(19)16-27)17-31-25(30)21(15-18-7-2-1-3-8-18)26-24(29)22-11-6-14-32-22/h1-11,14,21H,12-13,15-17H2,(H,26,29)