3-oxidanylidenebutan-2-yl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C16H13NO3S2 MolecularWeight: 331.40932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13NO3S2/c1-9(18)10(2)20-16(19)14-8-7-13(21-14)15-17-11-5-3-4-6-12(11)22-15/h3-8,10H,1-2H3