methyl 4-[(Z)-[4-oxidanylidene-3-(6-oxidanylidene-6-phenothiazin-10-yl-hexyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[(Z)-[4-oxidanylidene-3-(6-oxidanylidene-6-phenothiazin-10-yl-hexyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[4-oxo-3-(6-oxo-6-phenothiazin-10-yl-hexyl)-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[4-oxo-3-[6-oxo-6-(10-phenothiazinyl)hexyl]-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[4-oxo-3-(6-oxo-6-phenothiazin-10-ylhexyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[4-keto-3-(6-keto-6-phenothiazin-10-yl-hexyl)-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid methyl ester Formula: C30H26N2O4S3 MolecularWeight: 574.73344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C30H26N2O4S3/c1-36-29(35)21-16-14-20(15-17-21)19-26-28(34)31(30(37)39-26)18-8-2-3-13-27(33)32-22-9-4-6-11-24(22)38-25-12-7-5-10-23(25)32/h4-7,9-12,14-17,19H,2-3,8,13,18H2,1H3/b26-19-