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

Systemtic Name: methyl 4-[1,3-benzothiazol-2-yl(pyridin-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[1,3-benzothiazol-2-yl(2-pyridylmethyl)carbamoyl]benzoate CAS Name: 4-[[1,3-benzothiazol-2-yl(2-pyridinylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzothiazol-2-yl(pyridin-2-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[1,3-benzothiazol-2-yl(2-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17N3O3S/c1-28-21(27)16-11-9-15(10-12-16)20(26)25(14-17-6-4-5-13-23-17)22-24-18-7-2-3-8-19(18)29-22/h2-13H,14H2,1H3