methyl 2-[[(6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]carbamoylamino]benzoate

Systemtic Name: methyl 2-[[(6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]carbamoylamino]benzoate Openeye Name: methyl 2-[[(6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]carbamoylamino]benzoate CAS Name: 2-[[[[(6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]hydrazo]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]carbamoylamino]benzoate Traditional Name: 2-[[(6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]carbamoylamino]benzoic acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC=C2C(=O)NNC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC1CCC2=C(C1)SC=C2C(=O)NNC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H23N3O4S/c1-3-12-8-9-13-15(11-28-17(13)10-12)18(24)22-23-20(26)21-16-7-5-4-6-14(16)19(25)27-2/h4-7,11-12H,3,8-10H2,1-2H3,(H,22,24)(H2,21,23,26)