methyl 4-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C22H23N3O3S/c1-14-12-15(2)19-18(13-14)23-22(29-19)25-10-8-24(9-11-25)20(26)16-4-6-17(7-5-16)21(27)28-3/h4-7,12-13H,8-11H2,1-3H3