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

Systemtic Name: methyl 4-[1,3-benzothiazol-2-yl(2-dimethylaminoethyl)carbamoyl]benzoate Openeye Name: methyl 4-[1,3-benzothiazol-2-yl(2-dimethylaminoethyl)carbamoyl]benzoate CAS Name: 4-[[1,3-benzothiazol-2-yl(2-dimethylaminoethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzothiazol-2-yl(2-dimethylaminoethyl)carbamoyl]benzoate Traditional Name: 4-[1,3-benzothiazol-2-yl(2-dimethylaminoethyl)carbamoyl]benzoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O3S/c1-22(2)12-13-23(20-21-16-6-4-5-7-17(16)27-20)18(24)14-8-10-15(11-9-14)19(25)26-3/h4-11H,12-13H2,1-3H3