6-(1-hydroxyethyl)-4-methyl-6-(1-methyl-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-6-(1-methyl-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-4-methyl-6-[1-methyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-6-[[1-methyl-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-6-[1-methyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-6-[[1-methyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C(C)O)SC3CC(N(C3)C)C(=O)N4CCNCC4)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C(C)O)SC3CC(N(C3)C)C(=O)N4CCNCC4)C(=O)O

InChI

InChI=1S/C20H30N4O5S/c1-11-8-15(18(27)28)24-16(11)20(12(2)25,19(24)29)30-13-9-14(22(3)10-13)17(26)23-6-4-21-5-7-23/h8,11-14,16,21,25H,4-7,9-10H2,1-3H3,(H,27,28)