1,3-benzothiazol-2-ylmethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H13ClN2O3S2 MolecularWeight: 416.90112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H13ClN2O3S2/c20-17-11-5-1-3-7-13(11)27-18(17)19(24)21-9-16(23)25-10-15-22-12-6-2-4-8-14(12)26-15/h1-8H,9-10H2,(H,21,24)