N-[2-[[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[[(4S)-8-fluorothiochroman-4-yl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[[(4S)-8-fluorothiochroman-4-yl]amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C19H18FN3O4S MolecularWeight: 403.427323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2CCSC3=C2C=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N[C@H]2CCSC3=C2C=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C19H18FN3O4S/c1-11-5-6-12(9-16(11)23(26)27)19(25)21-10-17(24)22-15-7-8-28-18-13(15)3-2-4-14(18)20/h2-6,9,15H,7-8,10H2,1H3,(H,21,25)(H,22,24)/t15-/m0/s1