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

Systemtic Name: methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H11ClN2O3S2 MolecularWeight: 402.87454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11ClN2O3S2/c1-24-17(23)9-6-7-11-13(8-9)26-18(20-11)21-16(22)15-14(19)10-4-2-3-5-12(10)25-15/h2-8H,1H3,(H,20,21,22)