ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-keto-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromene-2-carboxylic acid ethyl ester Formula: C27H30N3O5S+ MolecularWeight: 508.6092

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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)CN5CC[NH+](CC5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)CN5CC[NH+](CC5)C)O

InChI

InChI=1S/C27H29N3O5S/c1-4-16-14-17-23(32)21(26-28-19-8-6-7-9-20(19)36-26)25(27(33)34-5-2)35-24(17)18(22(16)31)15-30-12-10-29(3)11-13-30/h6-9,14,31H,4-5,10-13,15H2,1-3H3/p+1