2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[4-[(5-methoxychroman-3-yl)amino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[4-[(5-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)amino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[4-[(5-methoxychroman-3-yl)amino]butyl]-1,2-benzothiazol-3-one Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CC(CO2)NCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

COC1=CC=CC2=C1CC(CO2)NCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H24N2O5S/c1-27-18-8-6-9-19-17(18)13-15(14-28-19)22-11-4-5-12-23-21(24)16-7-2-3-10-20(16)29(23,25)26/h2-3,6-10,15,22H,4-5,11-14H2,1H3