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

Systemtic Name: 3-[3-(2,3-dimethoxyphenyl)sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Openeye Name: 3-[3-(2,3-dimethoxyphenyl)sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine CAS Name: 3-[3-[(2,3-dimethoxyphenyl)thio]-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine IUPAC Name: 3-[3-(2,3-dimethoxyphenyl)sulfanyl-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Traditional Name: [3-[3-[(2,3-dimethoxyphenyl)thio]-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl]amine Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC(=C3OC)OC

Isomeric SMILES

CC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC(=C3OC)OC

InChI

InChI=1S/C21H27NO3S2/c1-14(12-26-19-10-6-8-17(23-2)20(19)24-3)11-15-13-27-18-9-5-4-7-16(18)25-21(15)22/h4-10,14-15,21H,11-13,22H2,1-3H3