ethyl 2-[(6-fluoranyl-2-oxidanylidene-3-prop-2-enyl-1,3-benzothiazol-5-yl)carbamoyl]-1,2-diazinane-1-carboxylate

Systemtic Name: ethyl 2-[(6-fluoranyl-2-oxidanylidene-3-prop-2-enyl-1,3-benzothiazol-5-yl)carbamoyl]-1,2-diazinane-1-carboxylate Openeye Name: ethyl 2-[(3-allyl-6-fluoro-2-oxo-1,3-benzothiazol-5-yl)carbamoyl]hexahydropyridazine-1-carboxylate CAS Name: 2-[[(6-fluoro-2-oxo-3-prop-2-enyl-1,3-benzothiazol-5-yl)amino]-oxomethyl]-1-diazinanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-fluoro-2-oxo-3-prop-2-enyl-1,3-benzothiazol-5-yl)carbamoyl]diazinane-1-carboxylate Traditional Name: 2-[(3-allyl-6-fluoro-2-keto-1,3-benzothiazol-5-yl)carbamoyl]hexahydropyridazine-1-carboxylic acid ethyl ester Formula: C18H21FN4O4S MolecularWeight: 408.447143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCCN1C(=O)NC2=C(C=C3C(=C2)N(C(=O)S3)CC=C)F

Isomeric SMILES

CCOC(=O)N1CCCCN1C(=O)NC2=C(C=C3C(=C2)N(C(=O)S3)CC=C)F

InChI

InChI=1S/C18H21FN4O4S/c1-3-7-21-14-11-13(12(19)10-15(14)28-18(21)26)20-16(24)22-8-5-6-9-23(22)17(25)27-4-2/h3,10-11H,1,4-9H2,2H3,(H,20,24)