2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2R)-2-(2-nitrophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)OC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)OC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-10(26-13-8-4-3-7-12(13)21(24)25)17(23)20-18-15(16(19)22)11-6-2-5-9-14(11)27-18/h3-4,7-8,10H,2,5-6,9H2,1H3,(H2,19,22)(H,20,23)/t10-/m1/s1