(E)-3-(3-ethoxy-2-methoxy-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid

Systemtic Name: (E)-3-(3-ethoxy-2-methoxy-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(3-ethoxy-2-methoxy-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(3-ethoxy-2-methoxyphenyl)-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-(3-ethoxy-2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-(3-ethoxy-2-methoxy-phenyl)-2-[(4-nitrophenyl)thio]acrylic acid Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C=C(C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1OC)/C=C(\C(=O)O)/SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO6S/c1-3-25-15-6-4-5-12(17(15)24-2)11-16(18(20)21)26-14-9-7-13(8-10-14)19(22)23/h4-11H,3H2,1-2H3,(H,20,21)/b16-11+