3-(3-ethoxy-4-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Systemtic Name: 3-(3-ethoxy-4-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(3-ethoxy-4-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(3-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: 3-(3-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(3-ethoxy-4-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C(=O)O)SC2=NNC(=N2)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C(=O)O)SC2=NNC(=N2)C)OC

InChI

InChI=1S/C15H17N3O4S/c1-4-22-12-7-10(5-6-11(12)21-3)8-13(14(19)20)23-15-16-9(2)17-18-15/h5-8H,4H2,1-3H3,(H,19,20)(H,16,17,18)