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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO2S/c1-4-10(2)15(16(19)20-3)18-13-7-8-21-14-6-5-11(17)9-12(13)14/h5-6,9-10,13,15,18H,4,7-8H2,1-3H3