3-(cyclooctylamino)-4-(3-oxidanylidene-4H-1,4-benzothiazin-7-yl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(cyclooctylamino)-4-(3-oxidanylidene-4H-1,4-benzothiazin-7-yl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(cyclooctylamino)-4-(3-oxo-4H-1,4-benzothiazin-7-yl)cyclobut-3-ene-1,2-dione CAS Name: 3-(cyclooctylamino)-4-(3-oxo-4H-1,4-benzothiazin-7-yl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(cyclooctylamino)-4-(3-oxo-4H-1,4-benzothiazin-7-yl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(cyclooctylamino)-4-(3-keto-4H-1,4-benzothiazin-7-yl)cyclobut-3-ene-1,2-quinone Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=C(C(=O)C2=O)C3=CC4=C(C=C3)NC(=O)CS4

Isomeric SMILES

C1CCCC(CCC1)NC2=C(C(=O)C2=O)C3=CC4=C(C=C3)NC(=O)CS4

InChI

InChI=1S/C20H22N2O3S/c23-16-11-26-15-10-12(8-9-14(15)22-16)17-18(20(25)19(17)24)21-13-6-4-2-1-3-5-7-13/h8-10,13,21H,1-7,11H2,(H,22,23)