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

Systemtic Name: methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)carbamoyl]benzoate CAS Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-pyridinylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

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