[3-(3H-1,3-benzothiazol-2-ylidene)-2,7-bis(oxidanylidene)chromen-8-yl]methyl-diethyl-azanium

Systemtic Name: [3-(3H-1,3-benzothiazol-2-ylidene)-2,7-bis(oxidanylidene)chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(3H-1,3-benzothiazol-2-ylidene)-2,7-dioxo-chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(3H-1,3-benzothiazol-2-ylidene)-2,7-dioxo-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(3H-1,3-benzothiazol-2-ylidene)-2,7-dioxochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(3H-1,3-benzothiazol-2-ylidene)-2,7-diketo-chromen-8-yl]methyl-diethyl-ammonium Formula: C21H21N2O3S+ MolecularWeight: 381.46804

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C2C(=CC(=C3NC4=CC=CC=C4S3)C(=O)O2)C=CC1=O

Isomeric SMILES

CC[NH+](CC)CC1=C2C(=CC(=C3NC4=CC=CC=C4S3)C(=O)O2)C=CC1=O

InChI

InChI=1S/C21H20N2O3S/c1-3-23(4-2)12-15-17(24)10-9-13-11-14(21(25)26-19(13)15)20-22-16-7-5-6-8-18(16)27-20/h5-11,22H,3-4,12H2,1-2H3/p+1