[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-oxidanylidenebenzo[f]chromene-2-carboxylate

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-oxidanylidenebenzo[f]chromene-2-carboxylate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-oxobenzo[f]chromene-2-carboxylate CAS Name: 3-oxo-2-benzo[f][1]benzopyrancarboxylic acid [2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-oxobenzo[f]chromene-2-carboxylate Traditional Name: 3-ketobenzo[f]chromene-2-carboxylic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C31H23N3O4S MolecularWeight: 533.59702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=CC6=C(C=CC7=CC=CC=C76)OC5=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=CC6=C(C=CC7=CC=CC=C76)OC5=O

InChI

InChI=1S/C31H23N3O4S/c35-29(25-19-24-23-9-5-4-6-20(23)10-13-27(24)38-30(25)36)37-22-11-12-26-28(18-22)39-31(32-26)34-16-14-33(15-17-34)21-7-2-1-3-8-21/h1-13,18-19H,14-17H2