[dimethylaminocarbamoyl(9H-xanthen-9-yl)amino] 2-methylsulfanylethanoate

Systemtic Name: [dimethylaminocarbamoyl(9H-xanthen-9-yl)amino] 2-methylsulfanylethanoate Openeye Name: [dimethylaminocarbamoyl(9H-xanthen-9-yl)amino] 2-methylsulfanylacetate CAS Name: 2-(methylthio)acetic acid [[(2,2-dimethylhydrazinyl)-oxomethyl]-(9H-xanthen-9-yl)amino] ester IUPAC Name: [dimethylaminocarbamoyl(9H-xanthen-9-yl)amino] 2-methylsulfanylacetate Traditional Name: 2-(methylthio)acetic acid [dimethylaminocarbamoyl(9H-xanthen-9-yl)amino] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)NC(=O)N(C1C2=CC=CC=C2OC3=CC=CC=C13)OC(=O)CSC

Isomeric SMILES

CN(C)NC(=O)N(C1C2=CC=CC=C2OC3=CC=CC=C13)OC(=O)CSC

InChI

InChI=1S/C19H21N3O4S/c1-21(2)20-19(24)22(26-17(23)12-27-3)18-13-8-4-6-10-15(13)25-16-11-7-5-9-14(16)18/h4-11,18H,12H2,1-3H3,(H,20,24)