methyl 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)carbamoyl]benzoate CAS Name: 4-[[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

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