3-[3-[3-ethyl-2-(methoxymethoxy)phenyl]sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine

Systemtic Name: 3-[3-[3-ethyl-2-(methoxymethoxy)phenyl]sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Openeye Name: 3-[3-[3-ethyl-2-(methoxymethoxy)phenyl]sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine CAS Name: 3-[3-[[3-ethyl-2-(methoxymethoxy)phenyl]thio]-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine IUPAC Name: 3-[3-[3-ethyl-2-(methoxymethoxy)phenyl]sulfanyl-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Traditional Name: [3-[3-[[3-ethyl-2-(methoxymethoxy)phenyl]thio]-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl]amine Formula: C23H31NO3S2 MolecularWeight: 433.62714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)SCC(C)CC2CSC3=CC=CC=C3OC2N)OCOC

Isomeric SMILES

CCC1=C(C(=CC=C1)SCC(C)CC2CSC3=CC=CC=C3OC2N)OCOC

InChI

InChI=1S/C23H31NO3S2/c1-4-17-8-7-11-21(22(17)26-15-25-3)28-13-16(2)12-18-14-29-20-10-6-5-9-19(20)27-23(18)24/h5-11,16,18,23H,4,12-15,24H2,1-3H3