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

Systemtic Name: [7-acetyloxy-1-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl] ethanoate; benzene Openeye Name: [7-acetoxy-1-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl] acetate; benzene CAS Name: acetic acid [7-acetyloxy-1-[(1,3-benzothiazol-2-ylthio)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl] ester; benzene IUPAC Name: [7-acetyloxy-1-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl] acetate; benzene Traditional Name: acetic acid [7-acetoxy-1-[(1,3-benzothiazol-2-ylthio)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl] ester; benzene Formula: C27H26N2O4S2 MolecularWeight: 506.63634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(NCCC2=C1)CSC3=NC4=CC=CC=C4S3)OC(=O)C.C1=CC=CC=C1

Isomeric SMILES

CC(=O)OC1=C(C=C2C(NCCC2=C1)CSC3=NC4=CC=CC=C4S3)OC(=O)C.C1=CC=CC=C1

InChI

InChI=1S/C21H20N2O4S2.C6H6/c1-12(24)26-18-9-14-7-8-22-17(15(14)10-19(18)27-13(2)25)11-28-21-23-16-5-3-4-6-20(16)29-21;1-2-4-6-5-3-1/h3-6,9-10,17,22H,7-8,11H2,1-2H3;1-6H