(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H17N3O3S2/c1-2-11-22-21-23-14(13-28-21)20(26)27-12-19(25)24-15-7-3-5-9-17(15)29-18-10-6-4-8-16(18)24/h2-10,13H,1,11-12H2,(H,22,23)