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

Systemtic Name: methyl 4-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(2-diethylaminoethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-diethylaminoethyl)carbamoyl]benzoate CAS Name: 4-[[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-diethylaminoethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-diethylaminoethyl)carbamoyl]benzoate Traditional Name: 4-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-diethylaminoethyl)carbamoyl]benzoic acid methyl ester Formula: C23H26ClN3O3S MolecularWeight: 459.98884

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2C)Cl)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2C)Cl)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H26ClN3O3S/c1-5-26(6-2)11-12-27(21(28)16-7-9-17(10-8-16)22(29)30-4)23-25-20-15(3)13-18(24)14-19(20)31-23/h7-10,13-14H,5-6,11-12H2,1-4H3