methyl 2-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate CAS Name: 2-[[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C21H21N3O3S2/c1-27-20(26)16-6-4-3-5-15(16)19(25)23-9-11-24(12-10-23)21-22-17-8-7-14(28-2)13-18(17)29-21/h3-8,13H,9-12H2,1-2H3