3-(3H-1,3-benzothiazol-2-ylidene)-8-[[bis(2-hydroxyethyl)amino]methyl]chromene-2,7-dione

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[bis(2-hydroxyethyl)amino]methyl]chromene-2,7-dione Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[bis(2-hydroxyethyl)amino]methyl]chromene-2,7-dione CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[bis(2-hydroxyethyl)amino]methyl]-1-benzopyran-2,7-dione IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[bis(2-hydroxyethyl)amino]methyl]chromene-2,7-dione Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[bis(2-hydroxyethyl)amino]methyl]chromene-2,7-quinone Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C4C=CC(=O)C(=C4OC3=O)CN(CCO)CCO)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=C4C=CC(=O)C(=C4OC3=O)CN(CCO)CCO)S2

InChI

InChI=1S/C21H20N2O5S/c24-9-7-23(8-10-25)12-15-17(26)6-5-13-11-14(21(27)28-19(13)15)20-22-16-3-1-2-4-18(16)29-20/h1-6,11,22,24-25H,7-10,12H2