methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)carbamoyl]benzoate CAS Name: 4-[[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(2-pyridinylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C24H21N3O3S/c1-15-12-16(2)21-20(13-15)26-24(31-21)27(14-19-6-4-5-11-25-19)22(28)17-7-9-18(10-8-17)23(29)30-3/h4-13H,14H2,1-3H3