N-[(5-chloranylthiophen-2-yl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-prop-2-enyl-butanamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-prop-2-enyl-butanamide Openeye Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-prop-2-enylbutanamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-prop-2-enylbutanamide Traditional Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C19H18ClN3O5S/c1-2-9-21(12-14-6-8-17(20)29-14)18(24)4-3-10-22-15-7-5-13(23(26)27)11-16(15)28-19(22)25/h2,5-8,11H,1,3-4,9-10,12H2