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

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

Systemtic Name:methyl 4-[1,3-benzothiazol-2-yl(2-diethylaminoethyl)carbamoyl]benzoate hydrochloride
Openeye Name:methyl 4-[1,3-benzothiazol-2-yl(2-diethylaminoethyl)carbamoyl]benzoate hydrochloride
CAS Name:4-[[1,3-benzothiazol-2-yl(2-diethylaminoethyl)amino]-oxomethyl]benzoic acid methyl ester hydrochloride
IUPAC Name:methyl 4-[1,3-benzothiazol-2-yl(2-diethylaminoethyl)carbamoyl]benzoate hydrochloride
Traditional Name:4-[1,3-benzothiazol-2-yl(2-diethylaminoethyl)carbamoyl]benzoic acid methyl ester hydrochloride
Formula: C22H26ClN3O3S
MolecularWeight: 447.97814
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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.Cl


Isomeric SMILES

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


InChI

InChI=1S/C22H25N3O3S.ClH/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;1H


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