(Z)-2-methoxycarbonyl-3-(5-methylsulfanyl-3-phenylmethoxy-thiophen-2-yl)prop-2-enoic acid

Systemtic Name: (Z)-2-methoxycarbonyl-3-(5-methylsulfanyl-3-phenylmethoxy-thiophen-2-yl)prop-2-enoic acid Openeye Name: (Z)-3-(3-benzyloxy-5-methylsulfanyl-2-thienyl)-2-methoxycarbonyl-prop-2-enoic acid CAS Name: (Z)-2-methoxycarbonyl-3-[5-(methylthio)-3-phenylmethoxy-2-thiophenyl]-2-propenoic acid IUPAC Name: (Z)-2-methoxycarbonyl-3-(5-methylsulfanyl-3-phenylmethoxythiophen-2-yl)prop-2-enoic acid Traditional Name: (Z)-3-[3-benzoxy-5-(methylthio)-2-thienyl]-2-carbomethoxy-acrylic acid Formula: C17H16O5S2 MolecularWeight: 364.43594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=C(C=C(S1)SC)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC(=O)/C(=C\C1=C(C=C(S1)SC)OCC2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C17H16O5S2/c1-21-17(20)12(16(18)19)8-14-13(9-15(23-2)24-14)22-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,19)/b12-8-