methyl 3-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O5S/c1-25-18(24)8-12(15-3-2-6-27-15)20-16(22)9-21-13-7-11(19)4-5-14(13)26-10-17(21)23/h2-7,12H,8-10H2,1H3,(H,20,22)