[2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C18H17IN2O4S MolecularWeight: 484.30805

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC(=CC=C3)I)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC(=CC=C3)I)C(=O)N

InChI

InChI=1S/C18H17IN2O4S/c19-11-5-3-4-10(8-11)18(24)25-9-14(22)21-17-15(16(20)23)12-6-1-2-7-13(12)26-17/h3-5,8H,1-2,6-7,9H2,(H2,20,23)(H,21,22)