6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-4H-1,4-benzothiazin-3-one Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)SCC(=O)N3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC3=C(C=C2)SCC(=O)N3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C22H22N2O4S/c25-21-13-29-20-7-5-15(11-16(20)23-21)22(26)24-8-1-3-17(24)14-4-6-18-19(12-14)28-10-2-9-27-18/h4-7,11-12,17H,1-3,8-10,13H2,(H,23,25)/t17-/m0/s1