dimethyl 2-[[5-ethoxycarbonyl-3-[(4-methoxyphenyl)methylideneamino]-1,2,3-triazol-4-yl]sulfanyl]but-2-enedioate

Systemtic Name: dimethyl 2-[[5-ethoxycarbonyl-3-[(4-methoxyphenyl)methylideneamino]-1,2,3-triazol-4-yl]sulfanyl]but-2-enedioate Openeye Name: dimethyl 2-[5-ethoxycarbonyl-3-[(4-methoxyphenyl)methyleneamino]triazol-4-yl]sulfanylbut-2-enedioate CAS Name: 2-[[5-ethoxycarbonyl-3-[(4-methoxyphenyl)methylideneamino]-4-triazolyl]thio]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl 2-[5-ethoxycarbonyl-3-[(4-methoxyphenyl)methylideneamino]triazol-4-yl]sulfanylbut-2-enedioate Traditional Name: 2-[[5-carbethoxy-3-(p-anisylideneamino)triazol-4-yl]thio]but-2-enedioic acid dimethyl ester Formula: C19H20N4O7S MolecularWeight: 448.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)N=CC2=CC=C(C=C2)OC)SC(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)N=CC2=CC=C(C=C2)OC)SC(=CC(=O)OC)C(=O)OC

InChI

InChI=1S/C19H20N4O7S/c1-5-30-19(26)16-17(31-14(18(25)29-4)10-15(24)28-3)23(22-21-16)20-11-12-6-8-13(27-2)9-7-12/h6-11H,5H2,1-4H3