S-(6-nitro-1,3-benzothiazol-2-yl) 2-phenylethanethioate

Systemtic Name: S-(6-nitro-1,3-benzothiazol-2-yl) 2-phenylethanethioate Openeye Name: S-(6-nitro-1,3-benzothiazol-2-yl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(6-nitro-1,3-benzothiazol-2-yl) ester IUPAC Name: S-(6-nitro-1,3-benzothiazol-2-yl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(6-nitro-1,3-benzothiazol-2-yl) ester Formula: C15H10N2O3S2 MolecularWeight: 330.3815

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O3S2/c18-14(8-10-4-2-1-3-5-10)22-15-16-12-7-6-11(17(19)20)9-13(12)21-15/h1-7,9H,8H2