N-[3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-2-furamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-2-10-3-6-12-14(9-10)28-19(16(12)18(24)20-11-4-5-11)21-17(23)13-7-8-15(27-13)22(25)26/h7-8,10-11H,2-6,9H2,1H3,(H,20,24)(H,21,23)