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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C(=O)O)/SC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17NO6S/c1-3-25-16-10-12(4-9-15(16)24-2)11-17(18(20)21)26-14-7-5-13(6-8-14)19(22)23/h4-11H,3H2,1-2H3,(H,20,21)/b17-11+