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

Systemtic Name: methyl 4-[2-dimethylaminoethyl-(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride Openeye Name: methyl 4-[2-dimethylaminoethyl-(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride CAS Name: 4-[[2-dimethylaminoethyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[2-dimethylaminoethyl-(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride Traditional Name: 4-[2-dimethylaminoethyl-(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester hydrochloride Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)OC.Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)OC.Cl

InChI

InChI=1S/C22H25N3O4S.ClH/c1-5-29-17-10-11-18-19(14-17)30-22(23-18)25(13-12-24(2)3)20(26)15-6-8-16(9-7-15)21(27)28-4;/h6-11,14H,5,12-13H2,1-4H3;1H