4-[5,5-bis(oxidanylidene)benzo[c][1,2]benzothiazin-6-yl]-N-[(8-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]butan-1-amine

Systemtic Name: 4-[5,5-bis(oxidanylidene)benzo[c][1,2]benzothiazin-6-yl]-N-[(8-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]butan-1-amine Openeye Name: 4-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(8-methoxychroman-2-yl)methyl]butan-1-amine CAS Name: 4-(5,5-dioxo-6-benzo[c][1,2]benzothiazinyl)-N-[(8-methoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-1-butanamine IUPAC Name: 4-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]butan-1-amine Traditional Name: 4-(5,5-diketobenzo[c][1,2]benzothiazin-6-yl)butyl-[(8-methoxychroman-2-yl)methyl]amine Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(CC2)CNCCCCN3C4=CC=CC=C4C5=CC=CC=C5S3(=O)=O

Isomeric SMILES

COC1=CC=CC2=C1OC(CC2)CNCCCCN3C4=CC=CC=C4C5=CC=CC=C5S3(=O)=O

InChI

InChI=1S/C27H30N2O4S/c1-32-25-13-8-9-20-15-16-21(33-27(20)25)19-28-17-6-7-18-29-24-12-4-2-10-22(24)23-11-3-5-14-26(23)34(29,30)31/h2-5,8-14,21,28H,6-7,15-19H2,1H3