(E)-3-(5-ethyl-3-methoxy-4-oxidanyl-naphthalen-1-yl)-2-(thiophen-2-ylmethyl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-ethyl-3-methoxy-4-oxidanyl-naphthalen-1-yl)-2-(thiophen-2-ylmethyl)prop-2-enoic acid Openeye Name: (E)-3-(5-ethyl-4-hydroxy-3-methoxy-1-naphthyl)-2-(2-thienylmethyl)prop-2-enoic acid CAS Name: (E)-3-(5-ethyl-4-hydroxy-3-methoxy-1-naphthalenyl)-2-(thiophen-2-ylmethyl)-2-propenoic acid IUPAC Name: (E)-3-(5-ethyl-4-hydroxy-3-methoxynaphthalen-1-yl)-2-(thiophen-2-ylmethyl)prop-2-enoic acid Traditional Name: (E)-3-(5-ethyl-4-hydroxy-3-methoxy-1-naphthyl)-2-(2-thenyl)acrylic acid Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C(=C(C=C2C=C(CC3=CC=CS3)C(=O)O)OC)O

Isomeric SMILES

CCC1=CC=CC2=C1C(=C(C=C2/C=C(\CC3=CC=CS3)/C(=O)O)OC)O

InChI

InChI=1S/C21H20O4S/c1-3-13-6-4-8-17-14(12-18(25-2)20(22)19(13)17)10-15(21(23)24)11-16-7-5-9-26-16/h4-10,12,22H,3,11H2,1-2H3,(H,23,24)/b15-10+