6-[(3-azanyl-3-methylimino-2-thiophen-2-yl-propanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[(3-azanyl-3-methylimino-2-thiophen-2-yl-propanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[3-amino-3-methylimino-2-(2-thienyl)propanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[(3-amino-3-methylimino-1-oxo-2-thiophen-2-ylpropyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(3-amino-3-methylimino-2-thiophen-2-ylpropanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[3-amino-3-methylimino-2-(2-thienyl)propanoyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CS3)C(=NC)N)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CS3)C(=NC)N)C(=O)O)C

InChI

InChI=1S/C16H20N4O4S2/c1-16(2)10(15(23)24)20-13(22)9(14(20)26-16)19-12(21)8(11(17)18-3)7-5-4-6-25-7/h4-6,8-10,14H,1-3H3,(H2,17,18)(H,19,21)(H,23,24)