(1S,2R,3aR)-2-phenyl-1-thiophen-3-ylcarbonyl-2,3a-dihydro-1H-naphtho[2,3-e]indolizine-3,3-dicarbonitrile

Systemtic Name: (1S,2R,3aR)-2-phenyl-1-thiophen-3-ylcarbonyl-2,3a-dihydro-1H-naphtho[2,3-e]indolizine-3,3-dicarbonitrile Openeye Name: (1S,2R,3aR)-2-phenyl-1-(thiophene-3-carbonyl)-2,3a-dihydro-1H-naphtho[2,3-e]indolizine-3,3-dicarbonitrile CAS Name: (1S,2R,3aR)-1-[oxo(3-thiophenyl)methyl]-2-phenyl-2,3a-dihydro-1H-naphtho[2,3-e]indolizine-3,3-dicarbonitrile IUPAC Name: (1S,2R,3aR)-2-phenyl-1-(thiophene-3-carbonyl)-2,3a-dihydro-1H-naphtho[2,3-e]indolizine-3,3-dicarbonitrile Traditional Name: (1S,2R,3aR)-2-phenyl-1-(3-thenoyl)-2,3a-dihydro-1H-naphth[2,3-e]indolizine-3,3-dicarbonitrile Formula: C29H19N3OS MolecularWeight: 457.54566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC5=CC=CC=C5C=C43)C(=O)C6=CSC=C6

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@H](N3[C@@H](C2(C#N)C#N)C=CC4=CC5=CC=CC=C5C=C43)C(=O)C6=CSC=C6

InChI

InChI=1S/C29H19N3OS/c30-17-29(18-31)25-11-10-22-14-20-8-4-5-9-21(20)15-24(22)32(25)27(28(33)23-12-13-34-16-23)26(29)19-6-2-1-3-7-19/h1-16,25-27H/t25-,26+,27+/m1/s1