1,3-benzothiazol-2-ylmethyl 4-methanoylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methanoylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H11NO3S MolecularWeight: 297.32844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)C=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C16H11NO3S/c18-9-11-5-7-12(8-6-11)16(19)20-10-15-17-13-3-1-2-4-14(13)21-15/h1-9H,10H2