(2-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl) N-[(3-nitrophenyl)methyl]carbamate

Systemtic Name: (2-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl) N-[(3-nitrophenyl)methyl]carbamate Openeye Name: (2-amino-4,5,6,7-tetrahydrobenzothiophen-3-yl) N-[(3-nitrophenyl)methyl]carbamate CAS Name: N-[(3-nitrophenyl)methyl]carbamic acid (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl) ester IUPAC Name: (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl) N-[(3-nitrophenyl)methyl]carbamate Traditional Name: N-(3-nitrobenzyl)carbamic acid (2-amino-4,5,6,7-tetrahydrobenzothiophen-3-yl) ester Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N)OC(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N)OC(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4S/c17-15-14(12-6-1-2-7-13(12)24-15)23-16(20)18-9-10-4-3-5-11(8-10)19(21)22/h3-5,8H,1-2,6-7,9,17H2,(H,18,20)