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

Systemtic Name: methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)carbamoyl]benzoate CAS Name: 2-[[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C24H21N3O4S/c1-3-31-17-10-11-20-21(13-17)32-24(26-20)27(15-16-7-6-12-25-14-16)22(28)18-8-4-5-9-19(18)23(29)30-2/h4-14H,3,15H2,1-2H3