[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C18H15N3O5S/c19-9-12-6-8-27-18(12)20-15(22)10-26-17(24)5-7-21-13-3-1-2-4-14(13)25-11-16(21)23/h1-4,6,8H,5,7,10-11H2,(H,20,22)