[2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxidanylidene-ethyl] 2-(4-ethylphenoxy)ethanoate

Systemtic Name: [2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxidanylidene-ethyl] 2-(4-ethylphenoxy)ethanoate Openeye Name: [2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxo-ethyl] 2-(4-ethylphenoxy)acetate CAS Name: 2-(4-ethylphenoxy)acetic acid [2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate Traditional Name: 2-(4-ethylphenoxy)acetic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=CC3=C2N=S=N3

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=CC3=C2N=S=N3

InChI

InChI=1S/C18H17N3O4S/c1-2-12-6-8-13(9-7-12)24-11-17(23)25-10-16(22)19-14-4-3-5-15-18(14)21-26-20-15/h3-9H,2,10-11H2,1H3,(H,19,22)