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

Systemtic Name: ethyl 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate CAS Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(1-oxopentylamino)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-5-(valerylamino)thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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