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

Systemtic Name: methyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)carbamoyl]benzoate CAS Name: 2-[[(4-chloro-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C22H16ClN3O3S/c1-29-21(28)16-8-3-2-7-15(16)20(27)26(13-14-6-5-11-24-12-14)22-25-19-17(23)9-4-10-18(19)30-22/h2-12H,13H2,1H3