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

Systemtic Name: methyl 4-[(5-methoxy-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)carbamoyl]benzoate CAS Name: 4-[[(5-methoxy-1,3-benzothiazol-2-yl)-(2-pyridinylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-methoxy-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H19N3O4S/c1-29-18-10-11-20-19(13-18)25-23(31-20)26(14-17-5-3-4-12-24-17)21(27)15-6-8-16(9-7-15)22(28)30-2/h3-13H,14H2,1-2H3