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

Systemtic Name: methyl 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate CAS Name: 2-[[4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-[4-(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=CC=C4SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC

InChI

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