[2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate

Systemtic Name: [2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate Openeye Name: [2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate CAS Name: 3-(2-ethoxyphenyl)propanoic 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] 3-(2-ethoxyphenyl)propanoate Traditional Name: 3-o-phenetylpropionic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=CC3=C2N=S=N3

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=CC3=C2N=S=N3

InChI

InChI=1S/C19H19N3O4S/c1-2-25-16-9-4-3-6-13(16)10-11-18(24)26-12-17(23)20-14-7-5-8-15-19(14)22-27-21-15/h3-9H,2,10-12H2,1H3,(H,20,23)