3-methyl-2-[(1R,5R)-7-oxidanylidene-3-(phenylmethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-2-enoic acid

Systemtic Name: 3-methyl-2-[(1R,5R)-7-oxidanylidene-3-(phenylmethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-2-enoic acid Openeye Name: 2-[(1R,5R)-3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]-3-methyl-but-2-enoic acid CAS Name: 3-methyl-2-[(1R,5R)-7-oxo-3-(phenylmethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]-2-butenoic acid IUPAC Name: 2-[(1R,5R)-3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]-3-methylbut-2-enoic acid Traditional Name: 2-[(1R,5R)-3-benzyl-7-keto-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]-3-methyl-but-2-enoic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)N1C2C(C1=O)N=C(S2)CC3=CC=CC=C3)C

Isomeric SMILES

CC(=C(C(=O)O)N1[C@H]2[C@@H](C1=O)N=C(S2)CC3=CC=CC=C3)C

InChI

InChI=1S/C16H16N2O3S/c1-9(2)13(16(20)21)18-14(19)12-15(18)22-11(17-12)8-10-6-4-3-5-7-10/h3-7,12,15H,8H2,1-2H3,(H,20,21)/t12-,15-/m1/s1