benzene; 2,2,2-tris(chloranyl)ethyl 6,7-diacetyloxy-1-(1,3-benzothiazol-2-ylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: benzene; 2,2,2-tris(chloranyl)ethyl 6,7-diacetyloxy-1-(1,3-benzothiazol-2-ylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzene; 2,2,2-trichloroethyl 6,7-diacetoxy-1-(1,3-benzothiazol-2-ylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: benzene; 6,7-diacetyloxy-1-[(1,3-benzothiazol-2-ylthio)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: benzene; 2,2,2-trichloroethyl 6,7-diacetyloxy-1-(1,3-benzothiazol-2-ylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: benzene; 6,7-diacetoxy-1-[(1,3-benzothiazol-2-ylthio)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C30H27Cl3N2O6S2 MolecularWeight: 682.03418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(N(CCC2=C1)C(=O)OCC(Cl)(Cl)Cl)CSC3=NC4=CC=CC=C4S3)OC(=O)C.C1=CC=CC=C1

Isomeric SMILES

CC(=O)OC1=C(C=C2C(N(CCC2=C1)C(=O)OCC(Cl)(Cl)Cl)CSC3=NC4=CC=CC=C4S3)OC(=O)C.C1=CC=CC=C1

InChI

InChI=1S/C24H21Cl3N2O6S2.C6H6/c1-13(30)34-19-9-15-7-8-29(23(32)33-12-24(25,26)27)18(16(15)10-20(19)35-14(2)31)11-36-22-28-17-5-3-4-6-21(17)37-22;1-2-4-6-5-3-1/h3-6,9-10,18H,7-8,11-12H2,1-2H3;1-6H