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

Systemtic Name: methyl 4-[(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)carbamoyl]benzoate CAS Name: 4-[[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-pyridinylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H18ClN3O3S/c1-14-6-11-18(24)20-19(14)26-23(31-20)27(13-17-5-3-4-12-25-17)21(28)15-7-9-16(10-8-15)22(29)30-2/h3-12H,13H2,1-2H3