methyl 4-[2-dimethylaminoethyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[2-dimethylaminoethyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[2-dimethylaminoethyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[2-dimethylaminoethyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-dimethylaminoethyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[2-dimethylaminoethyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H25N3O3S/c1-14-12-15(2)19-18(13-14)29-22(23-19)25(11-10-24(3)4)20(26)16-6-8-17(9-7-16)21(27)28-5/h6-9,12-13H,10-11H2,1-5H3