N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2-hydroxyethylamino)-3-nitro-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2-hydroxyethylamino)-3-nitro-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-hydroxyethylamino)-3-nitro-benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2-hydroxyethylamino)-3-nitrobenzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2-hydroxyethylamino)-3-nitrobenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-hydroxyethylamino)-3-nitro-benzamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)NCCO)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)NCCO)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H18N4O4S/c19-10-13-12-3-1-2-4-16(12)27-18(13)21-17(24)11-5-6-14(20-7-8-23)15(9-11)22(25)26/h5-6,9,20,23H,1-4,7-8H2,(H,21,24)