(4R,5R,6S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-(1-pyrazin-2-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5R,6S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-(1-pyrazin-2-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-(1-pyrazin-2-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[1-(2-pyrazinyl)ethylthio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-(1-pyrazin-2-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-3-(1-pyrazin-2-ylethylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC(C)C3=NC=CN=C3)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@H]2[C@H](C(=O)N2C(=C1SC(C)C3=NC=CN=C3)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C16H19N3O4S/c1-7-12-11(8(2)20)15(21)19(12)13(16(22)23)14(7)24-9(3)10-6-17-4-5-18-10/h4-9,11-12,20H,1-3H3,(H,22,23)/t7-,8-,9?,11-,12+/m1/s1