10-(isocyanatomethyl)-4,10-dihydrothieno[3,2-c][1]benzothiepine

Systemtic Name: 10-(isocyanatomethyl)-4,10-dihydrothieno[3,2-c][1]benzothiepine Openeye Name: 10-(isocyanatomethyl)-4,10-dihydrothieno[3,2-c][1]benzothiepine CAS Name: 10-(isocyanatomethyl)-4,10-dihydrothieno[3,2-c][1]benzothiepin IUPAC Name: 10-(isocyanatomethyl)-4,10-dihydrothieno[3,2-c][1]benzothiepine Traditional Name: 10-(isocyanatomethyl)-4,10-dihydrothieno[3,2-c][1]benzothiepin Formula: C14H11NOS2 MolecularWeight: 273.37324

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(C3=CC=CC=C3S1)CN=C=O)SC=C2

Isomeric SMILES

C1C2=C(C(C3=CC=CC=C3S1)CN=C=O)SC=C2

InChI

InChI=1S/C14H11NOS2/c16-9-15-7-12-11-3-1-2-4-13(11)18-8-10-5-6-17-14(10)12/h1-6,12H,7-8H2