ethyl 4-[4-[(E)-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(E)-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(E)-(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)/C=C/3\C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C23H23N3O4S/c1-2-30-23(29)26-13-11-25(12-14-26)22(28)17-9-7-16(8-10-17)15-20-21(27)24-18-5-3-4-6-19(18)31-20/h3-10,15H,2,11-14H2,1H3,(H,24,27)/b20-15+