1,3-benzothiazol-2-ylmethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=NC3=CC=CC=C3S2)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=NC3=CC=CC=C3S2)Cl)N

InChI

InChI=1S/C16H13ClN2O3S/c1-21-13-7-11(18)10(17)6-9(13)16(20)22-8-15-19-12-4-2-3-5-14(12)23-15/h2-7H,8,18H2,1H3