S-[3-[3-[4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl] ethanethioate

Systemtic Name: S-[3-[3-[4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl] ethanethioate Openeye Name: S-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[3-[4-(1-methyl-3-indolyl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propyl] ester IUPAC Name: S-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[3-[2,5-diketo-4-(1-methylindol-3-yl)-3-pyrrolin-3-yl]indol-1-yl]propyl] ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CC(=O)SCCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C26H23N3O3S/c1-16(30)33-13-7-12-29-15-20(18-9-4-6-11-22(18)29)24-23(25(31)27-26(24)32)19-14-28(2)21-10-5-3-8-17(19)21/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,27,31,32)