ethyl 2-[(4-iodophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(4-iodophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(4-iodobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-iodophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-iodobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-iodobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H13IN2O3S MolecularWeight: 452.26619

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H13IN2O3S/c1-2-23-16(22)11-5-8-13-14(9-11)24-17(19-13)20-15(21)10-3-6-12(18)7-4-10/h3-9H,2H2,1H3,(H,19,20,21)