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

Systemtic Name: ethyl 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(propanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(propanoylamino)thiophene-2-carboxylate CAS Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(1-oxopropylamino)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(propanoylamino)thiophene-2-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-5-propionamido-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2O3S2/c1-4-13(21)20-17-14(10(3)15(25-17)18(22)23-5-2)16-19-11-8-6-7-9-12(11)24-16/h6-9H,4-5H2,1-3H3,(H,20,21)