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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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