ethanoic acid; methyl 2-[(2-methyl-5-oxidanylidene-pyrazolidin-3-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethanoic acid; methyl 2-[(2-methyl-5-oxidanylidene-pyrazolidin-3-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: acetic acid; methyl 2-[(2-methyl-5-oxo-pyrazolidine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: acetic acid; 2-[[(2-methyl-5-oxo-3-pyrazolidinyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: acetic acid; methyl 2-[(2-methyl-5-oxopyrazolidine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: acetic acid; 2-[(5-keto-2-methyl-pyrazolidine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C16H21N3O6S MolecularWeight: 383.41944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN1C(CC(=O)N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CC(=O)O.CN1C(CC(=O)N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C14H17N3O4S.C2H4O2/c1-17-8(6-10(18)16-17)12(19)15-13-11(14(20)21-2)7-4-3-5-9(7)22-13;1-2(3)4/h8H,3-6H2,1-2H3,(H,15,19)(H,16,18);1H3,(H,3,4)