2-methoxyethyl 3-azanyl-2-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-5-(2-chlorophenyl)imino-2H-thiophene-4-carboxylate

Systemtic Name: 2-methoxyethyl 3-azanyl-2-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-5-(2-chlorophenyl)imino-2H-thiophene-4-carboxylate Openeye Name: 2-methoxyethyl 3-amino-2-[(4-bromo-3-methyl-phenyl)carbamoyl]-5-(2-chlorophenyl)imino-2H-thiophene-4-carboxylate CAS Name: 3-amino-2-[(4-bromo-3-methylanilino)-oxomethyl]-5-(2-chlorophenyl)imino-2H-thiophene-4-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-amino-2-[(4-bromo-3-methylphenyl)carbamoyl]-5-(2-chlorophenyl)imino-2H-thiophene-4-carboxylate Traditional Name: 3-amino-2-[(4-bromo-3-methyl-phenyl)carbamoyl]-5-(2-chlorophenyl)imino-2H-thiophene-4-carboxylic acid 2-methoxyethyl ester Formula: C22H21BrClN3O4S MolecularWeight: 538.84184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2C(=C(C(=NC3=CC=CC=C3Cl)S2)C(=O)OCCOC)N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2C(=C(C(=NC3=CC=CC=C3Cl)S2)C(=O)OCCOC)N)Br

InChI

InChI=1S/C22H21BrClN3O4S/c1-12-11-13(7-8-14(12)23)26-20(28)19-18(25)17(22(29)31-10-9-30-2)21(32-19)27-16-6-4-3-5-15(16)24/h3-8,11,19H,9-10,25H2,1-2H3,(H,26,28)