2-methyl-3-[(2R,3S,4R)-3-nitro-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-yl]-1H-indole

Systemtic Name: 2-methyl-3-[(2R,3S,4R)-3-nitro-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-yl]-1H-indole Openeye Name: 2-methyl-3-[(2R,3S,4R)-3-nitro-2-(2-thienyl)chroman-4-yl]-1H-indole CAS Name: 2-methyl-3-[(2R,3S,4R)-3-nitro-2-thiophen-2-yl-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-indole IUPAC Name: 2-methyl-3-[(2R,3S,4R)-3-nitro-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-yl]-1H-indole Traditional Name: 2-methyl-3-[(2R,3S,4R)-3-nitro-2-(2-thienyl)chroman-4-yl]-1H-indole Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C3C(C(OC4=CC=CC=C34)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H]3[C@@H]([C@@H](OC4=CC=CC=C34)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O3S/c1-13-19(14-7-2-4-9-16(14)23-13)20-15-8-3-5-10-17(15)27-22(21(20)24(25)26)18-11-6-12-28-18/h2-12,20-23H,1H3/t20-,21-,22-/m0/s1