dimethyl 2-[1,3-benzothiazol-2-ylsulfanyl(phenyl)methyl]butanedioate

Systemtic Name: dimethyl 2-[1,3-benzothiazol-2-ylsulfanyl(phenyl)methyl]butanedioate Openeye Name: dimethyl 2-[1,3-benzothiazol-2-ylsulfanyl(phenyl)methyl]butanedioate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)-phenylmethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1,3-benzothiazol-2-ylsulfanyl(phenyl)methyl]butanedioate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)-phenyl-methyl]succinic acid dimethyl ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(C1=CC=CC=C1)SC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

COC(=O)CC(C(C1=CC=CC=C1)SC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C20H19NO4S2/c1-24-17(22)12-14(19(23)25-2)18(13-8-4-3-5-9-13)27-20-21-15-10-6-7-11-16(15)26-20/h3-11,14,18H,12H2,1-2H3