5-cyclopentyl-3-nitro-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-cyclopentyl-3-nitro-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-cyclopentyl-3-nitro-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-cyclopentyl-3-nitro-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-cyclopentyl-3-nitrobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-cyclopentyl-3-nitro-benzo[b][1,4]benzothiazepin-6-one Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4C2=O

Isomeric SMILES

C1CCC(C1)N2C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4C2=O

InChI

InChI=1S/C18H16N2O3S/c21-18-14-7-3-4-8-16(14)24-17-10-9-13(20(22)23)11-15(17)19(18)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2