(7-methoxy-2,2-dimethyl-thiochromen-4-yl)-[1-(phenylmethyl)indol-2-yl]methanone

Systemtic Name: (7-methoxy-2,2-dimethyl-thiochromen-4-yl)-[1-(phenylmethyl)indol-2-yl]methanone Openeye Name: (1-benzylindol-2-yl)-(7-methoxy-2,2-dimethyl-thiochromen-4-yl)methanone CAS Name: (7-methoxy-2,2-dimethyl-1-benzothiopyran-4-yl)-[1-(phenylmethyl)-2-indolyl]methanone IUPAC Name: (1-benzylindol-2-yl)-(7-methoxy-2,2-dimethylthiochromen-4-yl)methanone Traditional Name: (1-benzylindol-2-yl)-(7-methoxy-2,2-dimethyl-thiochromen-4-yl)methanone Formula: C28H25NO2S MolecularWeight: 439.5686

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(S1)C=C(C=C2)OC)C(=O)C3=CC4=CC=CC=C4N3CC5=CC=CC=C5)C

Isomeric SMILES

CC1(C=C(C2=C(S1)C=C(C=C2)OC)C(=O)C3=CC4=CC=CC=C4N3CC5=CC=CC=C5)C

InChI

InChI=1S/C28H25NO2S/c1-28(2)17-23(22-14-13-21(31-3)16-26(22)32-28)27(30)25-15-20-11-7-8-12-24(20)29(25)18-19-9-5-4-6-10-19/h4-17H,18H2,1-3H3