methyl 2-[2-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: methyl 2-[2-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]-4-thiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]thiazol-4-yl]acetic acid methyl ester Formula: C17H16N4O7S MolecularWeight: 420.39654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CSC(=N1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

COC(=O)CC1=CSC(=N1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C17H16N4O7S/c1-27-15(23)7-10-9-29-16(18-10)19-14(22)3-2-6-20-12-5-4-11(21(25)26)8-13(12)28-17(20)24/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19,22)