methyl 3-chloranyl-6-[(2-methyl-3-nitro-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-methyl-3-nitro-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-methyl-3-nitro-phenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-methyl-3-nitrophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-methyl-3-nitro-phenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H14ClN3O4S2 MolecularWeight: 435.90446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C18H14ClN3O4S2/c1-9-12(4-3-5-13(9)22(24)25)21-18(27)20-10-6-7-11-14(8-10)28-16(15(11)19)17(23)26-2/h3-8H,1-2H3,(H2,20,21,27)