methyl 3-azanyl-2-[[prop-2-enoxy-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]amino]methyl]benzoate

Systemtic Name: methyl 3-azanyl-2-[[prop-2-enoxy-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]amino]methyl]benzoate Openeye Name: methyl 2-[[allyloxy-[2-(4-pyridyl)thiazole-4-carbonyl]amino]methyl]-3-amino-benzoate CAS Name: 3-amino-2-[[[oxo-(2-pyridin-4-yl-4-thiazolyl)methyl]-prop-2-enoxyamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-[[prop-2-enoxy-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate Traditional Name: 2-[[allyloxy-[2-(4-pyridyl)thiazole-4-carbonyl]amino]methyl]-3-amino-benzoic acid methyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)N)CN(C(=O)C2=CSC(=N2)C3=CC=NC=C3)OCC=C

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)N)CN(C(=O)C2=CSC(=N2)C3=CC=NC=C3)OCC=C

InChI

InChI=1S/C21H20N4O4S/c1-3-11-29-25(12-16-15(21(27)28-2)5-4-6-17(16)22)20(26)18-13-30-19(24-18)14-7-9-23-10-8-14/h3-10,13H,1,11-12,22H2,2H3