methyl 4-[(5-azanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(5-azanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(5-amino-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[(5-amino-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-amino-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[(5-amino-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC(=C3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC(=C3)N

InChI

InChI=1S/C16H13N3O3S/c1-22-15(21)10-4-2-9(3-5-10)14(20)19-16-18-12-8-11(17)6-7-13(12)23-16/h2-8H,17H2,1H3,(H,18,19,20)