methyl 2-[[4-(2-acetamidoethyl)-3,4-dihydro-2H-thiochromen-6-yl]sulfanyl]benzoate

Systemtic Name: methyl 2-[[4-(2-acetamidoethyl)-3,4-dihydro-2H-thiochromen-6-yl]sulfanyl]benzoate Openeye Name: methyl 2-[4-(2-acetamidoethyl)thiochroman-6-yl]sulfanylbenzoate CAS Name: 2-[[4-(2-acetamidoethyl)-3,4-dihydro-2H-1-benzothiopyran-6-yl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-acetamidoethyl)-3,4-dihydro-2H-thiochromen-6-yl]sulfanyl]benzoate Traditional Name: 2-[[4-(2-acetamidoethyl)thiochroman-6-yl]thio]benzoic acid methyl ester Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1CCSC2=C1C=C(C=C2)SC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(=O)NCCC1CCSC2=C1C=C(C=C2)SC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H23NO3S2/c1-14(23)22-11-9-15-10-12-26-19-8-7-16(13-18(15)19)27-20-6-4-3-5-17(20)21(24)25-2/h3-8,13,15H,9-12H2,1-2H3,(H,22,23)