[3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-methylpropyl)azanium

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-7-hydroxy-4-oxo-chromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-7-hydroxy-4-oxochromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-2-carbethoxy-6-ethyl-7-hydroxy-4-keto-chromen-8-yl]methyl-diisobutyl-ammonium Formula: C30H37N2O5S+ MolecularWeight: 537.69018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)C[NH+](CC(C)C)CC(C)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)C[NH+](CC(C)C)CC(C)C)O

InChI

InChI=1S/C30H36N2O5S/c1-7-19-13-20-26(34)24(29-31-22-11-9-10-12-23(22)38-29)28(30(35)36-8-2)37-27(20)21(25(19)33)16-32(14-17(3)4)15-18(5)6/h9-13,17-18,33H,7-8,14-16H2,1-6H3/p+1