3-(1-ethanimidoyl-4-methyl-pyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-ethanimidoyl-4-methyl-pyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-ethanimidoyl-4-methyl-pyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-3-[[1-(1-iminoethyl)-4-methyl-3-pyrrolidinyl]thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-ethanimidoyl-4-methylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(1-acetimidoyl-4-methyl-pyrrolidin-3-yl)thio]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H21N3O4S2 MolecularWeight: 371.47494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1SC2=C(N3C(S2)C(C3=O)C(C)O)C(=O)O)C(=N)C

Isomeric SMILES

CC1CN(CC1SC2=C(N3C(S2)C(C3=O)C(C)O)C(=O)O)C(=N)C

InChI

InChI=1S/C15H21N3O4S2/c1-6-4-17(8(3)16)5-9(6)23-15-11(14(21)22)18-12(20)10(7(2)19)13(18)24-15/h6-7,9-10,13,16,19H,4-5H2,1-3H3,(H,21,22)