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

Systemtic Name: 3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(3-ethoxy-4-propargyloxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C(=O)O)SC2=NNC(=N2)C)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C(=O)O)SC2=NNC(=N2)C)OCC#C

InChI

InChI=1S/C17H17N3O4S/c1-4-8-24-13-7-6-12(9-14(13)23-5-2)10-15(16(21)22)25-17-18-11(3)19-20-17/h1,6-7,9-10H,5,8H2,2-3H3,(H,21,22)(H,18,19,20)