N-ethyl-N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine

Systemtic Name: N-ethyl-N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine Openeye Name: N-ethyl-N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]thiochroman-4-amine CAS Name: N-ethyl-N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-3,4-dihydro-2H-1-benzothiopyran-4-amine IUPAC Name: N-ethyl-N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine Traditional Name: [5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl-ethyl-thiochroman-4-yl-amine Formula: C25H30N2O3S2 MolecularWeight: 470.6473

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(N1)C2=C(C=CC(=C2)S(=O)(=O)CC)OC)C3CCSC4=CC=CC=C34

Isomeric SMILES

CCN(CC1=CC=C(N1)C2=C(C=CC(=C2)S(=O)(=O)CC)OC)C3CCSC4=CC=CC=C34

InChI

InChI=1S/C25H30N2O3S2/c1-4-27(23-14-15-31-25-9-7-6-8-20(23)25)17-18-10-12-22(26-18)21-16-19(32(28,29)5-2)11-13-24(21)30-3/h6-13,16,23,26H,4-5,14-15,17H2,1-3H3