[7-acetyloxy-1-(thiophen-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl] ethanoate

Systemtic Name: [7-acetyloxy-1-(thiophen-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl] ethanoate Openeye Name: [7-acetoxy-1-(2-thienylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl] acetate CAS Name: acetic acid [7-acetyloxy-1-[(thiophen-2-ylthio)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl] ester IUPAC Name: [7-acetyloxy-1-(thiophen-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl] acetate Traditional Name: acetic acid [7-acetoxy-1-[(2-thienylthio)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl] ester Formula: C18H19NO4S2 MolecularWeight: 377.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(NCCC2=C1)CSC3=CC=CS3)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C2C(NCCC2=C1)CSC3=CC=CS3)OC(=O)C

InChI

InChI=1S/C18H19NO4S2/c1-11(20)22-16-8-13-5-6-19-15(10-25-18-4-3-7-24-18)14(13)9-17(16)23-12(2)21/h3-4,7-9,15,19H,5-6,10H2,1-2H3