(2-azanyl-2-oxidanylidene-ethyl) 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (2-amino-2-keto-ethyl) ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H18N2O5S2/c18-15(20)11-24-16(21)10-14-13-5-2-1-4-12(13)7-8-19(14)26(22,23)17-6-3-9-25-17/h1-6,9,14H,7-8,10-11H2,(H2,18,20)