[2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-keto-ethyl] ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)COC(=O)CCC3=CSC=C3)C(=O)N

Isomeric SMILES

C1C(OC2=CC=CC=C2N1C(=O)COC(=O)CCC3=CSC=C3)C(=O)N

InChI

InChI=1S/C18H18N2O5S/c19-18(23)15-9-20(13-3-1-2-4-14(13)25-15)16(21)10-24-17(22)6-5-12-7-8-26-11-12/h1-4,7-8,11,15H,5-6,9-10H2,(H2,19,23)