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

Systemtic Name: methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)carbamoyl]benzoate CAS Name: 4-[[(6-methyl-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(6-methyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

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