methyl 3-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C20H22N2O5S/c1-13-20(25)22(15-6-3-4-7-16(15)27-13)10-9-18(23)21-14(12-19(24)26-2)17-8-5-11-28-17/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,21,23)