ethyl 5-(1,3-benzothiazol-6-ylcarbonylamino)-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(1,3-benzothiazol-6-ylcarbonylamino)-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate Openeye Name: ethyl 5-(1,3-benzothiazole-6-carbonylamino)-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate CAS Name: 5-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-3-methyl-4-(methylcarbamoyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzothiazole-6-carbonylamino)-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazole-6-carbonylamino)-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylic acid ethyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)N=CS3)C(=O)NC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)N=CS3)C(=O)NC)C

InChI

InChI=1S/C18H17N3O4S2/c1-4-25-18(24)14-9(2)13(16(23)19-3)17(27-14)21-15(22)10-5-6-11-12(7-10)26-8-20-11/h5-8H,4H2,1-3H3,(H,19,23)(H,21,22)