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

Systemtic Name: ethyl 4-(1,3-benzothiazol-2-yl)-5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-(1,3-benzothiazol-2-yl)-5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-(1,3-benzothiazol-2-yl)-5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazol-2-yl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(pivaloylamino)thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-6-25-18(23)15-11(2)14(17(27-15)22-19(24)20(3,4)5)16-21-12-9-7-8-10-13(12)26-16/h7-10H,6H2,1-5H3,(H,22,24)