methyl 2-chloranyl-5-(thian-4-ylamino)benzoate

Systemtic Name: methyl 2-chloranyl-5-(thian-4-ylamino)benzoate Openeye Name: methyl 2-chloro-5-(tetrahydrothiopyran-4-ylamino)benzoate CAS Name: 2-chloro-5-(4-thianylamino)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-(thian-4-ylamino)benzoate Traditional Name: 2-chloro-5-(tetrahydrothiopyran-4-ylamino)benzoic acid methyl ester Formula: C13H16ClNO2S MolecularWeight: 285.78964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC2CCSCC2)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC2CCSCC2)Cl

InChI

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