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

Systemtic Name: methyl 2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate CAS Name: 2-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S/c1-27-19(26)15-5-3-2-4-14(15)18(25)23-8-10-24(11-9-23)20-22-16-7-6-13(21)12-17(16)28-20/h2-7,12H,8-11H2,1H3