7-[[4-(3-azanylpropyl)piperidin-1-yl]methylideneamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[4-(3-azanylpropyl)piperidin-1-yl]methylideneamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[4-(3-aminopropyl)-1-piperidyl]methyleneamino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[4-(3-aminopropyl)-1-piperidinyl]methylideneamino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[4-(3-aminopropyl)piperidin-1-yl]methylideneamino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[4-(3-aminopropyl)piperidino]methyleneamino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H26N4O3S MolecularWeight: 366.47834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)N=CN3CCC(CC3)CCCN)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)N=CN3CCC(CC3)CCCN)SC1)C(=O)O

InChI

InChI=1S/C17H26N4O3S/c1-11-9-25-16-13(15(22)21(16)14(11)17(23)24)19-10-20-7-4-12(5-8-20)3-2-6-18/h10,12-13,16H,2-9,18H2,1H3,(H,23,24)