N-[2,2,4-trimethyl-3-(4-nitrophenyl)sulfanyl-3H-1-benzofuran-7-yl]carbamate

Systemtic Name: N-[2,2,4-trimethyl-3-(4-nitrophenyl)sulfanyl-3H-1-benzofuran-7-yl]carbamate Openeye Name: N-[2,2,4-trimethyl-3-(4-nitrophenyl)sulfanyl-3H-benzofuran-7-yl]carbamate CAS Name: N-[2,2,4-trimethyl-3-[(4-nitrophenyl)thio]-3H-benzofuran-7-yl]carbamate IUPAC Name: N-[2,2,4-trimethyl-3-(4-nitrophenyl)sulfanyl-3H-1-benzofuran-7-yl]carbamate Traditional Name: N-[2,2,4-trimethyl-3-[(4-nitrophenyl)thio]coumaran-7-yl]carbamate Formula: C18H17N2O5S- MolecularWeight: 373.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(OC2=C(C=C1)NC(=O)[O-])(C)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(C(OC2=C(C=C1)NC(=O)[O-])(C)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-10-4-9-13(19-17(21)22)15-14(10)16(18(2,3)25-15)26-12-7-5-11(6-8-12)20(23)24/h4-9,16,19H,1-3H3,(H,21,22)/p-1