ethyl N-[4-[[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamoyl]phenyl]carbamate

Systemtic Name: ethyl N-[4-[[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamoyl]phenyl]carbamate Openeye Name: ethyl N-[4-[[[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]carbamoyl]phenyl]carbamate CAS Name: N-[4-[[[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]hydrazo]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamoyl]phenyl]carbamate Traditional Name: N-[4-[[[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]carbamoyl]phenyl]carbamic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)NC(=O)OCC

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)NC(=O)OCC

InChI

InChI=1S/C21H25N3O4S/c1-3-13-5-10-17-15(11-13)12-18(29-17)20(26)24-23-19(25)14-6-8-16(9-7-14)22-21(27)28-4-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)/t13-/m0/s1