4-chloranyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide Formula: C15H14ClN3O3S MolecularWeight: 351.80796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H14ClN3O3S/c1-8-2-5-11-13(6-8)23-15(17-11)18-14(20)9-3-4-10(16)12(7-9)19(21)22/h3-4,7-8H,2,5-6H2,1H3,(H,17,18,20)/t8-/m0/s1