pyrrolidin-3-ylsulfanyl 4-methyl-6-[3-(methylamino)-3-oxidanylidene-prop-1-en-2-yl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: pyrrolidin-3-ylsulfanyl 4-methyl-6-[3-(methylamino)-3-oxidanylidene-prop-1-en-2-yl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: pyrrolidin-3-ylsulfanyl 4-methyl-6-[1-(methylcarbamoyl)vinyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 4-methyl-6-[3-(methylamino)-3-oxoprop-1-en-2-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (3-pyrrolidinylthio) ester IUPAC Name: pyrrolidin-3-ylsulfanyl 4-methyl-6-[3-(methylamino)-3-oxoprop-1-en-2-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-4-methyl-6-[1-(methylcarbamoyl)vinyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (pyrrolidin-3-ylthio) ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)C(=C)C(=O)NC)C(=O)OSC3CCNC3

Isomeric SMILES

CC1C=C(N2C1C(C2=O)C(=C)C(=O)NC)C(=O)OSC3CCNC3

InChI

InChI=1S/C16H21N3O4S/c1-8-6-11(16(22)23-24-10-4-5-18-7-10)19-13(8)12(15(19)21)9(2)14(20)17-3/h6,8,10,12-13,18H,2,4-5,7H2,1,3H3,(H,17,20)