ethyl 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxylate CAS Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-5-[(2-methyl-1-oxopropyl)amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-5-(isobutyrylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)C)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)C)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C19H20N2O3S2/c1-5-24-19(23)15-11(4)14(18(26-15)21-16(22)10(2)3)17-20-12-8-6-7-9-13(12)25-17/h6-10H,5H2,1-4H3,(H,21,22)