ethyl 3-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(6-chlorothiochroman-4-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-chlorothiochroman-4-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H17ClN2O5S MolecularWeight: 420.86668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN2O5S/c1-2-27-19(24)12-7-11(8-14(9-12)22(25)26)18(23)21-16-5-6-28-17-4-3-13(20)10-15(16)17/h3-4,7-10,16H,2,5-6H2,1H3,(H,21,23)