methyl 4-[(6-chloranyl-1,3-benzothiazol-2-yl)-(2-diethylaminoethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(6-chloranyl-1,3-benzothiazol-2-yl)-(2-diethylaminoethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(6-chloro-1,3-benzothiazol-2-yl)-(2-diethylaminoethyl)carbamoyl]benzoate CAS Name: 4-[[(6-chloro-1,3-benzothiazol-2-yl)-(2-diethylaminoethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-chloro-1,3-benzothiazol-2-yl)-(2-diethylaminoethyl)carbamoyl]benzoate Traditional Name: 4-[(6-chloro-1,3-benzothiazol-2-yl)-(2-diethylaminoethyl)carbamoyl]benzoic acid methyl ester Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S/c1-4-25(5-2)12-13-26(22-24-18-11-10-17(23)14-19(18)30-22)20(27)15-6-8-16(9-7-15)21(28)29-3/h6-11,14H,4-5,12-13H2,1-3H3