N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(4S)-chroman-4-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(4S)-chroman-4-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O4S/c21-18(19-14-7-8-24-15-4-2-1-3-13(14)15)17-10-11-9-12(20(22)23)5-6-16(11)25-17/h1-6,9-10,14H,7-8H2,(H,19,21)/t14-/m0/s1