methyl 4-[2-dimethylaminoethyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride

Systemtic Name: methyl 4-[2-dimethylaminoethyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride Openeye Name: methyl 4-[2-dimethylaminoethyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride CAS Name: 4-[[2-dimethylaminoethyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[2-dimethylaminoethyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride Traditional Name: 4-[2-dimethylaminoethyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester hydrochloride Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)OC)C.Cl

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)OC)C.Cl

InChI

InChI=1S/C22H25N3O3S.ClH/c1-14-12-15(2)19-18(13-14)23-22(29-19)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;1H