N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[2-[5-(2-methylthiazol-4-yl)-2-thienyl]ethyl]-4-nitro-benzamide CAS Name: 3-hydroxy-N-[2-[5-(2-methyl-4-thiazolyl)-2-thiophenyl]ethyl]-4-nitrobenzamide IUPAC Name: 3-hydroxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-nitrobenzamide Traditional Name: 3-hydroxy-N-[2-[5-(2-methylthiazol-4-yl)-2-thienyl]ethyl]-4-nitro-benzamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(S2)CCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(S2)CCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H15N3O4S2/c1-10-19-13(9-25-10)16-5-3-12(26-16)6-7-18-17(22)11-2-4-14(20(23)24)15(21)8-11/h2-5,8-9,21H,6-7H2,1H3,(H,18,22)