3,7-bis[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]dibenzothiophene-2,8-dicarboxylic acid

Systemtic Name: 3,7-bis[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]dibenzothiophene-2,8-dicarboxylic acid Openeye Name: 3,7-bis[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]dibenzothiophene-2,8-dicarboxylic acid CAS Name: 3,7-bis[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]dibenzothiophene-2,8-dicarboxylic acid IUPAC Name: 3,7-bis[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]dibenzothiophene-2,8-dicarboxylic acid Traditional Name: 3,7-bis[[(E)-3-(4-methoxyphenyl)acryloyl]amino]dibenzothiophene-2,8-dicarboxylic acid Formula: C34H26N2O8S MolecularWeight: 622.64384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC2=C(C=C3C4=CC(=C(C=C4SC3=C2)NC(=O)C=CC5=CC=C(C=C5)OC)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=C3C(=C2)SC4=CC(=C(C=C34)C(=O)O)NC(=O)/C=C/C5=CC=C(C=C5)OC)C(=O)O

InChI

InChI=1S/C34H26N2O8S/c1-43-21-9-3-19(4-10-21)7-13-31(37)35-27-17-29-23(15-25(27)33(39)40)24-16-26(34(41)42)28(18-30(24)45-29)36-32(38)14-8-20-5-11-22(44-2)12-6-20/h3-18H,1-2H3,(H,35,37)(H,36,38)(H,39,40)(H,41,42)/b13-7+,14-8+