ethyl 4-azanyl-3-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-1-oxidanylidene-1,2-thiazole-5-carboxylate

Systemtic Name: ethyl 4-azanyl-3-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-1-oxidanylidene-1,2-thiazole-5-carboxylate Openeye Name: ethyl 4-amino-3-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-1-oxo-isothiazole-5-carboxylate CAS Name: 4-amino-3-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-1-oxo-5-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-3-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-1-oxo-1,2-thiazole-5-carboxylate Traditional Name: 4-amino-3-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-1-keto-isothiazole-5-carboxylic acid ethyl ester Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NS1=O)NCCCOC2=CC=CC(=C2)CN(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(C(=NS1=O)NCCCOC2=CC=CC(=C2)CN(C)C)N

InChI

InChI=1S/C18H26N4O4S/c1-4-25-18(23)16-15(19)17(21-27(16)24)20-9-6-10-26-14-8-5-7-13(11-14)12-22(2)3/h5,7-8,11H,4,6,9-10,12,19H2,1-3H3,(H,20,21)