2-[3-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]prop-2-enoic acid

Systemtic Name: 2-[3-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]prop-2-enoic acid Openeye Name: 2-[3-[7-methoxy-3-(4-methoxyphenyl)thiochroman-4-yl]phenyl]prop-2-enoic acid CAS Name: 2-[3-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzothiopyran-4-yl]phenyl]-2-propenoic acid IUPAC Name: 2-[3-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]prop-2-enoic acid Traditional Name: 2-[3-[7-methoxy-3-(4-methoxyphenyl)thiochroman-4-yl]phenyl]acrylic acid Formula: C26H24O4S MolecularWeight: 432.53136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CSC3=C(C2C4=CC=CC(=C4)C(=C)C(=O)O)C=CC(=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CSC3=C(C2C4=CC=CC(=C4)C(=C)C(=O)O)C=CC(=C3)OC

InChI

InChI=1S/C26H24O4S/c1-16(26(27)28)18-5-4-6-19(13-18)25-22-12-11-21(30-3)14-24(22)31-15-23(25)17-7-9-20(29-2)10-8-17/h4-14,23,25H,1,15H2,2-3H3,(H,27,28)