[(6S)-2-azanyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-nitrophenyl)methanone

Systemtic Name: [(6S)-2-azanyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-nitrophenyl)methanone Openeye Name: [(6S)-2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(4-nitrophenyl)methanone CAS Name: [(6S)-2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-nitrophenyl)methanone IUPAC Name: [(6S)-2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-nitrophenyl)methanone Traditional Name: [(6S)-2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(4-nitrophenyl)methanone Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H16N2O3S/c1-9-2-7-12-13(8-9)22-16(17)14(12)15(19)10-3-5-11(6-4-10)18(20)21/h3-6,9H,2,7-8,17H2,1H3/t9-/m0/s1