(6S)-2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[(4-chloro-2-nitro-benzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[(4-chloro-2-nitrophenyl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[(4-chloro-2-nitrobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[(4-chloro-2-nitro-benzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c1-2-9-3-5-12-14(7-9)27-18(15(12)16(20)23)21-17(24)11-6-4-10(19)8-13(11)22(25)26/h4,6,8-9H,2-3,5,7H2,1H3,(H2,20,23)(H,21,24)/t9-/m0/s1