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

Systemtic Name: methyl 4-[(4-methyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-methyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)carbamoyl]benzoate CAS Name: 4-[[(4-methyl-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H19N3O3S/c1-15-5-3-7-19-20(15)25-23(30-19)26(14-16-6-4-12-24-13-16)21(27)17-8-10-18(11-9-17)22(28)29-2/h3-13H,14H2,1-2H3