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

Systemtic Name: methyl 3-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]propanoate Openeye Name: methyl 3-[(6-chlorothiochroman-4-yl)amino]propanoate CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanoate Traditional Name: 3-[(6-chlorothiochroman-4-yl)amino]propionic acid methyl ester Formula: C13H16ClNO2S MolecularWeight: 285.78964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1CCSC2=C1C=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCNC1CCSC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C13H16ClNO2S/c1-17-13(16)4-6-15-11-5-7-18-12-3-2-9(14)8-10(11)12/h2-3,8,11,15H,4-7H2,1H3