(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-nitrobenzothiophen-2-yl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-nitrobenzothiophen-2-yl)methanone Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O3S2/c1-12-8-9-20(15-4-2-3-5-17(15)25-12)19(22)18-11-13-10-14(21(23)24)6-7-16(13)26-18/h2-7,10-12H,8-9H2,1H3