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

Systemtic Name: ethyl 4-(1,3-benzothiazol-2-yl)-5-(butanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-(1,3-benzothiazol-2-yl)-5-(butanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(1-oxobutylamino)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazol-2-yl)-5-(butanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-5-butyramido-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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