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

Systemtic Name: methyl 4-[(Z)-[4-oxidanylidene-3-(4-oxidanylidene-4-phenothiazin-10-yl-butyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[4-oxo-3-(4-oxo-4-phenothiazin-10-yl-butyl)-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[4-oxo-3-[4-oxo-4-(10-phenothiazinyl)butyl]-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[4-oxo-3-(4-oxo-4-phenothiazin-10-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[4-keto-3-(4-keto-4-phenothiazin-10-yl-butyl)-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid methyl ester Formula: C28H22N2O4S3 MolecularWeight: 546.68028

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H22N2O4S3/c1-34-27(33)19-14-12-18(13-15-19)17-24-26(32)29(28(35)37-24)16-6-11-25(31)30-20-7-2-4-9-22(20)36-23-10-5-3-8-21(23)30/h2-5,7-10,12-15,17H,6,11,16H2,1H3/b24-17-