(6S,7aS)-2-azanylidene-N-(2-chloranyl-5-nitro-phenyl)-6-methyl-5,6,7,7a-tetrahydro-4H-1-benzothiophene-3-carboxamide

Systemtic Name: (6S,7aS)-2-azanylidene-N-(2-chloranyl-5-nitro-phenyl)-6-methyl-5,6,7,7a-tetrahydro-4H-1-benzothiophene-3-carboxamide Openeye Name: (6S,7aS)-N-(2-chloro-5-nitro-phenyl)-2-imino-6-methyl-5,6,7,7a-tetrahydro-4H-benzothiophene-3-carboxamide CAS Name: (6S,7aS)-N-(2-chloro-5-nitrophenyl)-2-imino-6-methyl-5,6,7,7a-tetrahydro-4H-1-benzothiophene-3-carboxamide IUPAC Name: (6S,7aS)-N-(2-chloro-5-nitrophenyl)-2-imino-6-methyl-5,6,7,7a-tetrahydro-4H-1-benzothiophene-3-carboxamide Traditional Name: (6S,7aS)-N-(2-chloro-5-nitro-phenyl)-2-imino-6-methyl-5,6,7,7a-tetrahydro-4H-benzothiophene-3-carboxamide Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C(=N)SC2C1)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CCC2=C(C(=N)S[C@H]2C1)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN3O3S/c1-8-2-4-10-13(6-8)24-15(18)14(10)16(21)19-12-7-9(20(22)23)3-5-11(12)17/h3,5,7-8,13,18H,2,4,6H2,1H3,(H,19,21)/t8-,13-/m0/s1