methyl 2-[[5-methyl-4-oxidanylidene-6-(2-thiophen-2-ylethylcarbamoylamino)-3,1-benzoxazin-2-yl]amino]butanoate

Systemtic Name: methyl 2-[[5-methyl-4-oxidanylidene-6-(2-thiophen-2-ylethylcarbamoylamino)-3,1-benzoxazin-2-yl]amino]butanoate Openeye Name: methyl 2-[[5-methyl-4-oxo-6-[2-(2-thienyl)ethylcarbamoylamino]-3,1-benzoxazin-2-yl]amino]butanoate CAS Name: 2-[[5-methyl-4-oxo-6-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]-3,1-benzoxazin-2-yl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[5-methyl-4-oxo-6-(2-thiophen-2-ylethylcarbamoylamino)-3,1-benzoxazin-2-yl]amino]butanoate Traditional Name: 2-[[4-keto-5-methyl-6-[2-(2-thienyl)ethylcarbamoylamino]-3,1-benzoxazin-2-yl]amino]butyric acid methyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)NC1=NC2=C(C(=C(C=C2)NC(=O)NCCC3=CC=CS3)C)C(=O)O1

Isomeric SMILES

CCC(C(=O)OC)NC1=NC2=C(C(=C(C=C2)NC(=O)NCCC3=CC=CS3)C)C(=O)O1

InChI

InChI=1S/C21H24N4O5S/c1-4-14(18(26)29-3)24-21-25-16-8-7-15(12(2)17(16)19(27)30-21)23-20(28)22-10-9-13-6-5-11-31-13/h5-8,11,14H,4,9-10H2,1-3H3,(H,24,25)(H2,22,23,28)