2-azanylidene-3-(1,3-benzothiazol-2-yl)-1,5-benzothiazepine-3-carbaldehyde

Systemtic Name: 2-azanylidene-3-(1,3-benzothiazol-2-yl)-1,5-benzothiazepine-3-carbaldehyde Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-imino-1,5-benzothiazepine-3-carbaldehyde CAS Name: 3-(1,3-benzothiazol-2-yl)-2-imino-1,5-benzothiazepine-3-carboxaldehyde IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-imino-1,5-benzothiazepine-3-carbaldehyde Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-imino-1,5-benzothiazepine-3-carbaldehyde Formula: C17H11N3OS2 MolecularWeight: 337.41874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(C(=N)S2)(C=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(C(=N)S2)(C=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H11N3OS2/c18-15-17(10-21,9-19-11-5-1-3-7-13(11)22-15)16-20-12-6-2-4-8-14(12)23-16/h1-10,18H