3-[5-[2-(dimethylamino)cyclopropyl]pyrrolidin-3-yl]sulfanyl-6-[(1S)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[5-[2-(dimethylamino)cyclopropyl]pyrrolidin-3-yl]sulfanyl-6-[(1S)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[5-[2-(dimethylamino)cyclopropyl]pyrrolidin-3-yl]sulfanyl-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[[5-[2-(dimethylamino)cyclopropyl]-3-pyrrolidinyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[5-[2-(dimethylamino)cyclopropyl]pyrrolidin-3-yl]sulfanyl-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[5-[2-(dimethylamino)cyclopropyl]pyrrolidin-3-yl]thio]-6-[(1S)-1-hydroxyethyl]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H27N3O4S MolecularWeight: 381.48968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)SC3CC(NC3)C4CC4N(C)C)O

Isomeric SMILES

C[C@@H](C1C2CC(=C(N2C1=O)C(=O)O)SC3CC(NC3)C4CC4N(C)C)O

InChI

InChI=1S/C18H27N3O4S/c1-8(22)15-13-6-14(16(18(24)25)21(13)17(15)23)26-9-4-11(19-7-9)10-5-12(10)20(2)3/h8-13,15,19,22H,4-7H2,1-3H3,(H,24,25)/t8-,9?,10?,11?,12?,13?,15?/m0/s1