methyl 4-[(E)-[4-(3-aminocarbonyl-4-oxidanyl-phenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-[4-(3-aminocarbonyl-4-oxidanyl-phenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzoate Openeye Name: methyl 4-[(E)-[2-allylimino-4-(3-carbamoyl-4-hydroxy-phenyl)thiazol-3-yl]iminomethyl]benzoate CAS Name: 4-[(E)-[4-(3-carbamoyl-4-hydroxyphenyl)-2-prop-2-enylimino-3-thiazolyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[4-(3-carbamoyl-4-hydroxyphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzoate Traditional Name: 4-[(E)-[2-allylimino-4-(3-carbamoyl-4-hydroxy-phenyl)-4-thiazolin-3-yl]iminomethyl]benzoic acid methyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2C(=CSC2=NCC=C)C3=CC(=C(C=C3)O)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/N2C(=CSC2=NCC=C)C3=CC(=C(C=C3)O)C(=O)N

InChI

InChI=1S/C22H20N4O4S/c1-3-10-24-22-26(25-12-14-4-6-15(7-5-14)21(29)30-2)18(13-31-22)16-8-9-19(27)17(11-16)20(23)28/h3-9,11-13,27H,1,10H2,2H3,(H2,23,28)/b24-22?,25-12+