methyl 4-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2-dimethylaminoethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2-dimethylaminoethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-dimethylaminoethyl)carbamoyl]benzoate CAS Name: 4-[[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-dimethylaminoethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-dimethylaminoethyl)carbamoyl]benzoate Traditional Name: 4-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-dimethylaminoethyl)carbamoyl]benzoic acid methyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4S/c1-24(2)11-12-25(19(26)13-5-7-14(8-6-13)20(27)29-4)21-23-17-16(28-3)10-9-15(22)18(17)30-21/h5-10H,11-12H2,1-4H3