ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H13ClN2O3S2 MolecularWeight: 416.90112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H13ClN2O3S2/c1-2-25-18(24)10-7-8-12-14(9-10)27-19(21-12)22-17(23)16-15(20)11-5-3-4-6-13(11)26-16/h3-9H,2H2,1H3,(H,21,22,23)