S-(1,3-benzoxazol-2-ylmethyl) 1,2,3,4-tetrahydrocarbazole-9-carbothioate

Systemtic Name: S-(1,3-benzoxazol-2-ylmethyl) 1,2,3,4-tetrahydrocarbazole-9-carbothioate Openeye Name: S-(1,3-benzoxazol-2-ylmethyl) 1,2,3,4-tetrahydrocarbazole-9-carbothioate CAS Name: 1,2,3,4-tetrahydrocarbazole-9-carbothioic acid S-(1,3-benzoxazol-2-ylmethyl) ester IUPAC Name: S-(1,3-benzoxazol-2-ylmethyl) 1,2,3,4-tetrahydrocarbazole-9-carbothioate Traditional Name: 1,2,3,4-tetrahydrocarbazole-9-carbothioic acid S-(1,3-benzoxazol-2-ylmethyl) ester Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)SCC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)SCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H18N2O2S/c24-21(26-13-20-22-16-9-3-6-12-19(16)25-20)23-17-10-4-1-7-14(17)15-8-2-5-11-18(15)23/h1,3-4,6-7,9-10,12H,2,5,8,11,13H2