methyl N-[2-(3-oxidanylidenebutanoylamino)-1,3-benzothiazol-6-yl]carbamate

Systemtic Name: methyl N-[2-(3-oxidanylidenebutanoylamino)-1,3-benzothiazol-6-yl]carbamate Openeye Name: methyl N-[2-(3-oxobutanoylamino)-1,3-benzothiazol-6-yl]carbamate CAS Name: N-[2-(1,3-dioxobutylamino)-1,3-benzothiazol-6-yl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(3-oxobutanoylamino)-1,3-benzothiazol-6-yl]carbamate Traditional Name: N-[2-(acetoacetylamino)-1,3-benzothiazol-6-yl]carbamic acid methyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)OC

Isomeric SMILES

CC(=O)CC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)OC

InChI

InChI=1S/C13H13N3O4S/c1-7(17)5-11(18)16-12-15-9-4-3-8(6-10(9)21-12)14-13(19)20-2/h3-4,6H,5H2,1-2H3,(H,14,19)(H,15,16,18)