ethyl 2-[(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoylamino]-3-methyl-but-2-enoate

Systemtic Name: ethyl 2-[(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoylamino]-3-methyl-but-2-enoate Openeye Name: ethyl 2-[(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoylamino]-3-methyl-but-2-enoate CAS Name: 2-[[[(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)amino]-oxomethyl]amino]-3-methyl-2-butenoic acid ethyl ester IUPAC Name: ethyl 2-[(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoylamino]-3-methylbut-2-enoate Traditional Name: 2-[(7-fluoro-3-keto-4-propargyl-1,4-benzoxazin-6-yl)carbamoylamino]-3-methyl-but-2-enoic acid ethyl ester Formula: C19H20FN3O5 MolecularWeight: 389.377603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)C)NC(=O)NC1=C(C=C2C(=C1)N(C(=O)CO2)CC#C)F

Isomeric SMILES

CCOC(=O)C(=C(C)C)NC(=O)NC1=C(C=C2C(=C1)N(C(=O)CO2)CC#C)F

InChI

InChI=1S/C19H20FN3O5/c1-5-7-23-14-9-13(12(20)8-15(14)28-10-16(23)24)21-19(26)22-17(11(3)4)18(25)27-6-2/h1,8-9H,6-7,10H2,2-4H3,(H2,21,22,26)