methyl 2-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-4-methyl-pentanoate Openeye Name: methyl 2-[(6-chlorothiochroman-4-yl)amino]-4-methyl-pentanoate CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-4-methylpentanoate Traditional Name: 2-[(6-chlorothiochroman-4-yl)amino]-4-methyl-valeric acid methyl ester Formula: C16H22ClNO2S MolecularWeight: 327.86938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC1CCSC2=C1C=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(C(=O)OC)NC1CCSC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C16H22ClNO2S/c1-10(2)8-14(16(19)20-3)18-13-6-7-21-15-5-4-11(17)9-12(13)15/h4-5,9-10,13-14,18H,6-8H2,1-3H3