[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C28H25N3O5S2 MolecularWeight: 547.6452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53)OC

InChI

InChI=1S/C28H25N3O5S2/c1-34-22-12-11-18(15-23(22)35-2)19-17-37-28(29-19)30-26(32)16-36-27(33)13-14-31-20-7-3-5-9-24(20)38-25-10-6-4-8-21(25)31/h3-12,15,17H,13-14,16H2,1-2H3,(H,29,30,32)