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

Systemtic Name: methyl 4-[2-dimethylaminoethyl-(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride Openeye Name: methyl 4-[2-dimethylaminoethyl-(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride CAS Name: 4-[[2-dimethylaminoethyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[2-dimethylaminoethyl-(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride Traditional Name: 4-[2-dimethylaminoethyl-(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester hydrochloride Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)C(=O)OC.Cl

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)C(=O)OC.Cl

InChI

InChI=1S/C21H23N3O4S.ClH/c1-23(2)11-12-24(19(25)14-5-7-15(8-6-14)20(26)28-4)21-22-17-10-9-16(27-3)13-18(17)29-21;/h5-10,13H,11-12H2,1-4H3;1H